3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride

C27H30ClNO — CID 19360482

IUPAC3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride
SMILESCN(C)CC1=C(c2cccc(O)c2)c2cc(CCc3ccccc3)ccc2CC1.Cl
InChIInChI=1S/C27H29NO.ClH/c1-28(2)19-24-16-15-22-14-13-21(12-11-20-7-4-3-5-8-20)17-26(22)27(24)23-9-6-10-25(29)18-23;/h3-10,13-14,17-18,29H,11-12,15-16,19H2,1-2H3;1H
InChIKeyAOURKADKSFJIFW-UHFFFAOYSA-N
MW420.00 g/mol
LogP5.91
Rot. Bonds6

About 3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride

3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride (PubChem CID 19360482) has the molecular formula C27H30ClNO and a molecular weight of 420.00 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride
PubChem CID19360482
Molecular FormulaC27H30ClNO
Molecular Weight420.00 g/mol
Exact Mass419.20
IUPAC Name3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride
SMILESCN(C)CC1=C(c2cccc(O)c2)c2cc(CCc3ccccc3)ccc2CC1.Cl
InChIInChI=1S/C27H29NO.ClH/c1-28(2)19-24-16-15-22-14-13-21(12-11-20-7-4-3-5-8-20)17-26(22)27(24)23-9-6-10-25(29)18-23;/h3-10,13-14,17-18,29H,11-12,15-16,19H2,1-2H3;1H
InChIKeyAOURKADKSFJIFW-UHFFFAOYSA-N
XLogP5.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.00
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(dimethylamino)methyl]-5-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol;hydrochloride
CID 19360496
3-[4-[(dimethylamino)methyl]-1-oxo-2,3-dihydro-1λ4-benzothiepin-5-yl]phenol;hydrochloride
CID 139809082
4-[(dimethylamino)methyl]-5-(3-hydroxyphenyl)-2,3-dihydro-1-benzoxepin-8-ol;hydrochloride
CID 19367714
3-[4-[(dimethylamino)methyl]-8-fluoro-2,3-dihydro-1-benzoxepin-5-yl]phenol
CID 19367693
3-[4-[(dimethylamino)methyl]-8-methoxy-2,3-dihydro-1-benzothiepin-5-yl]phenol
CID 19367726
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
1-[6-(4-chlorophenyl)-1-phenyl-3,4-dihydronaphthalen-2-yl]-N,N-dimethylmethanamine
CID 57048109
N,N-dimethyl-1-[7-[[methyl-[(3-phenylphenyl)methyl]amino]methyl]-9H-fluoren-3-yl]methanamine
CID 167585560
4-[(dimethylamino)methyl]-2,6-diphenylphenol
CID 15625757
3-[3-[(dimethylamino)methyl]-6-methoxy-2,2-dimethylchromen-4-yl]phenol;hydrochloride
CID 19367701
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride?
The IUPAC name of 3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride (CID 19360482) is 3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride is CN(C)CC1=C(c2cccc(O)c2)c2cc(CCc3ccccc3)ccc2CC1.Cl.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride?
The InChIKey is AOURKADKSFJIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO.ClH/c1-28(2)19-24-16-15-22-14-13-21(12-11-20-7-4-3-5-8-20)17-26(22)27(24)23-9-6-10-25(29)18-23;/h3-10,13-14,17-18,29H,11-12,15-16,19H2,1-2H3;1H.
What are the key properties of 3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride?
3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride has a molecular weight of 420.00 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]-7-(2-phenylethyl)-3,4-dihydronaphthalen-1-yl]phenol;hydrochloride is sourced from PubChem (CID 19360482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).