N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline

C16H26N2O — CID 106663198

IUPACN-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline
SMILESCOc1cccc(NC2(CN)CC(C)(C)CC2C)c1
InChIInChI=1S/C16H26N2O/c1-12-9-15(2,3)10-16(12,11-17)18-13-6-5-7-14(8-13)19-4/h5-8,12,18H,9-11,17H2,1-4H3
InChIKeyCSOZYSXEZDZADQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.26
Rot. Bonds4

About N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline

N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline (PubChem CID 106663198) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline
PubChem CID106663198
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline
SMILESCOc1cccc(NC2(CN)CC(C)(C)CC2C)c1
InChIInChI=1S/C16H26N2O/c1-12-9-15(2,3)10-16(12,11-17)18-13-6-5-7-14(8-13)19-4/h5-8,12,18H,9-11,17H2,1-4H3
InChIKeyCSOZYSXEZDZADQ-UHFFFAOYSA-N
XLogP3.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-fluoro-3-methoxyaniline
CID 106663283
N-[1-(aminomethyl)-2,4,4-trimethylcyclohexyl]-3-methylaniline
CID 81321624
[2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol
CID 106664005
3-(aminomethyl)-N-(3-methoxyphenyl)-5-methylthiolan-3-amine
CID 79950466
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline
CID 79846865
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline
CID 65377332
1-(3-methoxyanilino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile
CID 115999180
4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine
CID 65377742
N-[1-(aminomethyl)-2,4,4-trimethylcyclohexyl]-4-bromo-3-chloroaniline
CID 107619544
1-(3-methoxyanilino)-3,3-dimethylcyclopentane-1-carboxylic acid
CID 80700013
1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid
CID 64513111
4-(aminomethyl)-N-(3-methoxyphenyl)-1-propan-2-ylazepan-4-amine
CID 65378995

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline?
The IUPAC name of N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline (CID 106663198) is N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline?
The canonical SMILES for N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline is COc1cccc(NC2(CN)CC(C)(C)CC2C)c1.
What is the InChIKey of N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline?
The InChIKey is CSOZYSXEZDZADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-15(2,3)10-16(12,11-17)18-13-6-5-7-14(8-13)19-4/h5-8,12,18H,9-11,17H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline?
N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline has a molecular weight of 262.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline is sourced from PubChem (CID 106663198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).