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

C23H28ClNO — CID 17210424

IUPAC3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride
SMILESCC(C)CCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl
InChIInChI=1S/C23H27NO.ClH/c1-18(2)14-15-24-16-22-21-11-7-6-10-20(21)12-13-23(22)25-17-19-8-4-3-5-9-19;/h3-13,18,24H,14-17H2,1-2H3;1H
InChIKeyJZSMXGMQQHBRJP-UHFFFAOYSA-N
MW369.94 g/mol
LogP5.98
Rot. Bonds8

About 3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride

3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride (PubChem CID 17210424) has the molecular formula C23H28ClNO and a molecular weight of 369.94 g/mol. Its IUPAC name is 3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride
PubChem CID17210424
Molecular FormulaC23H28ClNO
Molecular Weight369.94 g/mol
Exact Mass369.19
IUPAC Name3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride
SMILESCC(C)CCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl
InChIInChI=1S/C23H27NO.ClH/c1-18(2)14-15-24-16-22-21-11-7-6-10-20(21)12-13-23(22)25-17-19-8-4-3-5-9-19;/h3-13,18,24H,14-17H2,1-2H3;1H
InChIKeyJZSMXGMQQHBRJP-UHFFFAOYSA-N
XLogP5.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.94
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-3-methylbutan-1-amine
CID 17210543
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
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
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294781
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17209098
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865
2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
CID 17208421
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2972927
1-[2-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]propan-2-ol
CID 17054897

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride?
The IUPAC name of 3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride (CID 17210424) is 3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride.
What is the SMILES notation for 3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride?
The canonical SMILES for 3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride is CC(C)CCNCc1c(OCc2ccccc2)ccc2ccccc12.Cl.
What is the InChIKey of 3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride?
The InChIKey is JZSMXGMQQHBRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO.ClH/c1-18(2)14-15-24-16-22-21-11-7-6-10-20(21)12-13-23(22)25-17-19-8-4-3-5-9-19;/h3-13,18,24H,14-17H2,1-2H3;1H.
What are the key properties of 3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride?
3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride is sourced from PubChem (CID 17210424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).