1-(4-methoxyphenyl)-N-methyldecan-2-amine

C18H31NO — CID 63416962

IUPAC1-(4-methoxyphenyl)-N-methyldecan-2-amine
SMILESCCCCCCCCC(Cc1ccc(OC)cc1)NC
InChIInChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-17(19-2)15-16-11-13-18(20-3)14-12-16/h11-14,17,19H,4-10,15H2,1-3H3
InChIKeyNPWVRCOKVWDTGW-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.58
Rot. Bonds11

About 1-(4-methoxyphenyl)-N-methyldecan-2-amine

1-(4-methoxyphenyl)-N-methyldecan-2-amine (PubChem CID 63416962) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyldecan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyldecan-2-amine
PubChem CID63416962
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(4-methoxyphenyl)-N-methyldecan-2-amine
SMILESCCCCCCCCC(Cc1ccc(OC)cc1)NC
InChIInChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-17(19-2)15-16-11-13-18(20-3)14-12-16/h11-14,17,19H,4-10,15H2,1-3H3
InChIKeyNPWVRCOKVWDTGW-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.58
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

1-(4-iodophenyl)-N-methylnonan-2-amine
CID 115864388
N-methyl-1-phenyldecan-2-amine
CID 63412341
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-(2-chlorooctyl)-4-methoxybenzene
CID 114753869
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
CID 114752994
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
CID 115516486
1-(4-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61065170
1-[2-(bromomethyl)undecyl]-4-methoxybenzene
CID 66041899
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1-(2-bromohexyl)-4-methoxybenzene
CID 63543278

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyldecan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyldecan-2-amine (CID 63416962) is 1-(4-methoxyphenyl)-N-methyldecan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyldecan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyldecan-2-amine is CCCCCCCCC(Cc1ccc(OC)cc1)NC.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyldecan-2-amine?
The InChIKey is NPWVRCOKVWDTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-17(19-2)15-16-11-13-18(20-3)14-12-16/h11-14,17,19H,4-10,15H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyldecan-2-amine?
1-(4-methoxyphenyl)-N-methyldecan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.58, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyldecan-2-amine is sourced from PubChem (CID 63416962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).