2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine

C17H30N2O — CID 61420511

IUPAC2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine
SMILESCCCCCCC(CN)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H30N2O/c1-4-5-6-7-10-16(13-18)19(2)14-15-9-8-11-17(12-15)20-3/h8-9,11-12,16H,4-7,10,13-14,18H2,1-3H3
InChIKeyVFHSFSQWJSRDEH-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.42
Rot. Bonds10

About 2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine

2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine (PubChem CID 61420511) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine
PubChem CID61420511
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine
SMILESCCCCCCC(CN)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H30N2O/c1-4-5-6-7-10-16(13-18)19(2)14-15-9-8-11-17(12-15)20-3/h8-9,11-12,16H,4-7,10,13-14,18H2,1-3H3
InChIKeyVFHSFSQWJSRDEH-UHFFFAOYSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 61420033
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344
2-N-methyl-2-N-[(4-methylphenyl)methyl]heptane-1,2-diamine
CID 43130465
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042805
(E)-N-chloro-N-[(3-methoxyphenyl)methyl]pentadec-4-en-8-amine
CID 102571937
N-ethyl-1-(3-methoxyphenyl)octan-2-amine
CID 62602505
2-N-methyl-2-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 61414077
N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 61420129
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62412977
1-methoxy-3-nonadecylbenzene
CID 154507578
ethyl (2S)-2-[(3-methoxyphenyl)methyl-methylamino]-3-phenylpropanoate
CID 99809151

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine?
The IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine (CID 61420511) is 2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine?
The canonical SMILES for 2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine is CCCCCCC(CN)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine?
The InChIKey is VFHSFSQWJSRDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-5-6-7-10-16(13-18)19(2)14-15-9-8-11-17(12-15)20-3/h8-9,11-12,16H,4-7,10,13-14,18H2,1-3H3.
What are the key properties of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine?
2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine is sourced from PubChem (CID 61420511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).