N-methyl-1-phenyldecan-2-amine

C17H29N — CID 63412341

IUPACN-methyl-1-phenyldecan-2-amine
SMILESCCCCCCCCC(Cc1ccccc1)NC
InChIInChI=1S/C17H29N/c1-3-4-5-6-7-11-14-17(18-2)15-16-12-9-8-10-13-16/h8-10,12-13,17-18H,3-7,11,14-15H2,1-2H3
InChIKeyRQAPMOXCJUQNCZ-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.57
Rot. Bonds10

About N-methyl-1-phenyldecan-2-amine

N-methyl-1-phenyldecan-2-amine (PubChem CID 63412341) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-methyl-1-phenyldecan-2-amine.

Molecular Properties

Compound NameN-methyl-1-phenyldecan-2-amine
PubChem CID63412341
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-methyl-1-phenyldecan-2-amine
SMILESCCCCCCCCC(Cc1ccccc1)NC
InChIInChI=1S/C17H29N/c1-3-4-5-6-7-11-14-17(18-2)15-16-12-9-8-10-13-16/h8-10,12-13,17-18H,3-7,11,14-15H2,1-2H3
InChIKeyRQAPMOXCJUQNCZ-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
1-(4-iodophenyl)-N-methylnonan-2-amine
CID 115864388
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
1-(3-fluorophenyl)-N-methylundecan-2-amine
CID 63417215
1-(3-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
CID 114752994
(4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide
CID 142497406
N-methyl-1-phenoxynonan-2-amine
CID 63416660
5-ethoxy-N-methyl-1-phenylpentan-2-amine
CID 105084642
N-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
2-bromotridecylbenzene
CID 65427778

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyldecan-2-amine?
The IUPAC name of N-methyl-1-phenyldecan-2-amine (CID 63412341) is N-methyl-1-phenyldecan-2-amine.
What is the SMILES notation for N-methyl-1-phenyldecan-2-amine?
The canonical SMILES for N-methyl-1-phenyldecan-2-amine is CCCCCCCCC(Cc1ccccc1)NC.
What is the InChIKey of N-methyl-1-phenyldecan-2-amine?
The InChIKey is RQAPMOXCJUQNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-3-4-5-6-7-11-14-17(18-2)15-16-12-9-8-10-13-16/h8-10,12-13,17-18H,3-7,11,14-15H2,1-2H3.
What are the key properties of N-methyl-1-phenyldecan-2-amine?
N-methyl-1-phenyldecan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyldecan-2-amine is sourced from PubChem (CID 63412341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).