N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride

C21H24ClNO — CID 175007063

IUPACN,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride
SMILESCC(Cc1cccc(Oc2cccc3ccccc23)c1)N(C)C.Cl
InChIInChI=1S/C21H23NO.ClH/c1-16(22(2)3)14-17-8-6-11-19(15-17)23-21-13-7-10-18-9-4-5-12-20(18)21;/h4-13,15-16H,14H2,1-3H3;1H
InChIKeyDQYDBVRHORRYHC-UHFFFAOYSA-N
MW341.88 g/mol
LogP5.55
Rot. Bonds5

About N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride

N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride (PubChem CID 175007063) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride
PubChem CID175007063
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC NameN,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride
SMILESCC(Cc1cccc(Oc2cccc3ccccc23)c1)N(C)C.Cl
InChIInChI=1S/C21H23NO.ClH/c1-16(22(2)3)14-17-8-6-11-19(15-17)23-21-13-7-10-18-9-4-5-12-20(18)21;/h4-13,15-16H,14H2,1-3H3;1H
InChIKeyDQYDBVRHORRYHC-UHFFFAOYSA-N
XLogP5.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.88
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine
CID 150548466
1-[3-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63943521
N-methyl-1-(3-naphthalen-1-yloxyphenyl)ethanamine
CID 79166432
1-(3-naphthalen-1-yloxyphenyl)propan-1-one
CID 22660295
2-[3-[2-[[3-(2-aminophenoxy)phenyl]methyl]butyl]phenoxy]aniline
CID 69081227
1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
[3-[2-(dimethylamino)propyl]phenyl] 4-methylbenzenesulfonate
CID 23034261
N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine
CID 167923420
1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
CID 63941363
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
[3-(2-methoxyphenoxy)phenyl]methanol
CID 69315022

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride (CID 175007063) is N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride is CC(Cc1cccc(Oc2cccc3ccccc23)c1)N(C)C.Cl.
What is the InChIKey of N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride?
The InChIKey is DQYDBVRHORRYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO.ClH/c1-16(22(2)3)14-17-8-6-11-19(15-17)23-21-13-7-10-18-9-4-5-12-20(18)21;/h4-13,15-16H,14H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride?
N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 175007063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).