2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride

C22H26ClNO — CID 17291277

IUPAC2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
SMILESCC(C)CNCc1c(OCc2ccccc2)ccc2ccccc12.Cl
InChIInChI=1S/C22H25NO.ClH/c1-17(2)14-23-15-21-20-11-7-6-10-19(20)12-13-22(21)24-16-18-8-4-3-5-9-18;/h3-13,17,23H,14-16H2,1-2H3;1H
InChIKeyWUNLRLHCIDDMQL-UHFFFAOYSA-N
MW355.91 g/mol
LogP5.59
Rot. Bonds7

About 2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride

2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride (PubChem CID 17291277) has the molecular formula C22H26ClNO and a molecular weight of 355.91 g/mol. Its IUPAC name is 2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
PubChem CID17291277
Molecular FormulaC22H26ClNO
Molecular Weight355.91 g/mol
Exact Mass355.17
IUPAC Name2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
SMILESCC(C)CNCc1c(OCc2ccccc2)ccc2ccccc12.Cl
InChIInChI=1S/C22H25NO.ClH/c1-17(2)14-23-15-21-20-11-7-6-10-19(20)12-13-22(21)24-16-18-8-4-3-5-9-18;/h3-13,17,23H,14-16H2,1-2H3;1H
InChIKeyWUNLRLHCIDDMQL-UHFFFAOYSA-N
XLogP5.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.91
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride
CID 17210424
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 29186721
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63055930
N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294780
N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17294784
3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63056266
N-[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63485658
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2972927
N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294781
2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 66527244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of 2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride (CID 17291277) is 2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride is CC(C)CNCc1c(OCc2ccccc2)ccc2ccccc12.Cl.
What is the InChIKey of 2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride?
The InChIKey is WUNLRLHCIDDMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO.ClH/c1-17(2)14-23-15-21-20-11-7-6-10-19(20)12-13-22(21)24-16-18-8-4-3-5-9-18;/h3-13,17,23H,14-16H2,1-2H3;1H.
What are the key properties of 2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride?
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 17291277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).