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

C16H26N2O — CID 79846865

IUPACN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline
SMILESCOc1cccc(NC2(CN)CCCCC2(C)C)c1
InChIInChI=1S/C16H26N2O/c1-15(2)9-4-5-10-16(15,12-17)18-13-7-6-8-14(11-13)19-3/h6-8,11,18H,4-5,9-10,12,17H2,1-3H3
InChIKeyFWQNQSZJUURBSF-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.40
Rot. Bonds4

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

N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline (PubChem CID 79846865) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline
PubChem CID79846865
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline
SMILESCOc1cccc(NC2(CN)CCCCC2(C)C)c1
InChIInChI=1S/C16H26N2O/c1-15(2)9-4-5-10-16(15,12-17)18-13-7-6-8-14(11-13)19-3/h6-8,11,18H,4-5,9-10,12,17H2,1-3H3
InChIKeyFWQNQSZJUURBSF-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline
CID 79857246
4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine
CID 65377742
4-(aminomethyl)-N-(3-methoxyphenyl)-1-propan-2-ylazepan-4-amine
CID 65378995
3-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylthian-3-amine
CID 79947900
N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline
CID 106663198
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 120773664
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline
CID 65377332
3-(aminomethyl)-N-(3-methoxyphenyl)-5-methylthiolan-3-amine
CID 79950466
[1-ethyl-4-(3-methoxyanilino)piperidin-4-yl]methanol
CID 61048674
ethyl 3-(3-methoxyanilino)thiolane-3-carboxylate
CID 54890596
N-(3-methoxyphenyl)thiohydroxylamine
CID 88816374
(1-aminocyclopentyl)methyl N-(3-methoxyphenyl)carbamate
CID 79337035

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline?
The IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline (CID 79846865) is N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline?
The canonical SMILES for N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline is COc1cccc(NC2(CN)CCCCC2(C)C)c1.
What is the InChIKey of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline?
The InChIKey is FWQNQSZJUURBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-15(2)9-4-5-10-16(15,12-17)18-13-7-6-8-14(11-13)19-3/h6-8,11,18H,4-5,9-10,12,17H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline?
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline has a molecular weight of 262.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline is sourced from PubChem (CID 79846865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).