N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine

C18H25NO — CID 63478488

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1c(OC)ccc2ccccc12
InChIInChI=1S/C18H25NO/c1-4-5-8-14(2)19-13-17-16-10-7-6-9-15(16)11-12-18(17)20-3/h6-7,9-12,14,19H,4-5,8,13H2,1-3H3
InChIKeyXJBRHZHFGMXRFL-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.52
Rot. Bonds7

About N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine

N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine (PubChem CID 63478488) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine
PubChem CID63478488
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1c(OC)ccc2ccccc12
InChIInChI=1S/C18H25NO/c1-4-5-8-14(2)19-13-17-16-10-7-6-9-15(16)11-12-18(17)20-3/h6-7,9-12,14,19H,4-5,8,13H2,1-3H3
InChIKeyXJBRHZHFGMXRFL-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
CID 17292334
methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
CID 60780634
2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol
CID 3160564
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273
2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide
CID 119281603
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
CID 7322198
N,N-bis[(2-methoxynaphthalen-1-yl)methyl]butan-1-amine
CID 53235294
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
CID 113453549

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine (CID 63478488) is N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine is CCCCC(C)NCc1c(OC)ccc2ccccc12.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine?
The InChIKey is XJBRHZHFGMXRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-5-8-14(2)19-13-17-16-10-7-6-9-15(16)11-12-18(17)20-3/h6-7,9-12,14,19H,4-5,8,13H2,1-3H3.
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine?
N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine has a molecular weight of 271.40 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine is sourced from PubChem (CID 63478488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).