N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine

C17H29NO — CID 115324466

IUPACN-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine
SMILESCCC(NCCCCC(C)C)c1ccccc1OC
InChIInChI=1S/C17H29NO/c1-5-16(18-13-9-8-10-14(2)3)15-11-6-7-12-17(15)19-4/h6-7,11-12,14,16,18H,5,8-10,13H2,1-4H3
InChIKeyRKXZVJZGRUPZOP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.56
Rot. Bonds9

About N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine

N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine (PubChem CID 115324466) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine
PubChem CID115324466
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine
SMILESCCC(NCCCCC(C)C)c1ccccc1OC
InChIInChI=1S/C17H29NO/c1-5-16(18-13-9-8-10-14(2)3)15-11-6-7-12-17(15)19-4/h6-7,11-12,14,16,18H,5,8-10,13H2,1-4H3
InChIKeyRKXZVJZGRUPZOP-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.56
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

5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43770870
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
CID 43770341
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 103782832
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894124

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine (CID 115324466) is N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine is CCC(NCCCCC(C)C)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine?
The InChIKey is RKXZVJZGRUPZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-16(18-13-9-8-10-14(2)3)15-11-6-7-12-17(15)19-4/h6-7,11-12,14,16,18H,5,8-10,13H2,1-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine?
N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine is sourced from PubChem (CID 115324466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).