5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline

C16H26N2O — CID 64501060

IUPAC5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline
SMILESCOc1ccc(CN(C)C)cc1NC1CCC(C)C1
InChIInChI=1S/C16H26N2O/c1-12-5-7-14(9-12)17-15-10-13(11-18(2)3)6-8-16(15)19-4/h6,8,10,12,14,17H,5,7,9,11H2,1-4H3
InChIKeyLKLHDSFVPPYXQS-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.36
Rot. Bonds5

About 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline

5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline (PubChem CID 64501060) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline
PubChem CID64501060
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline
SMILESCOc1ccc(CN(C)C)cc1NC1CCC(C)C1
InChIInChI=1S/C16H26N2O/c1-12-5-7-14(9-12)17-15-10-13(11-18(2)3)6-8-16(15)19-4/h6,8,10,12,14,17H,5,7,9,11H2,1-4H3
InChIKeyLKLHDSFVPPYXQS-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline
CID 43686520
1-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexane-1,3-diamine
CID 79458843
2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376142
4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 64501520
5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline
CID 43686566
5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 61324530
cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 30979844
2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline
CID 2847498
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64723792
3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
CID 114543233
N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline
CID 43686533
N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline
CID 115885128

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline?
The IUPAC name of 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline (CID 64501060) is 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline.
What is the SMILES notation for 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline?
The canonical SMILES for 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline is COc1ccc(CN(C)C)cc1NC1CCC(C)C1.
What is the InChIKey of 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline?
The InChIKey is LKLHDSFVPPYXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-5-7-14(9-12)17-15-10-13(11-18(2)3)6-8-16(15)19-4/h6,8,10,12,14,17H,5,7,9,11H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline?
5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline has a molecular weight of 262.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline is sourced from PubChem (CID 64501060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).