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

C15H24N2O — CID 79857246

IUPACN-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline
SMILESCOc1ccc(NC2(CN)CCCC2(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-14(2)9-4-10-15(14,11-16)17-12-5-7-13(18-3)8-6-12/h5-8,17H,4,9-11,16H2,1-3H3
InChIKeyXUAHVTMEMZBPHX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.01
Rot. Bonds4

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

N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline (PubChem CID 79857246) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline
PubChem CID79857246
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline
SMILESCOc1ccc(NC2(CN)CCCC2(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-14(2)9-4-10-15(14,11-16)17-12-5-7-13(18-3)8-6-12/h5-8,17H,4,9-11,16H2,1-3H3
InChIKeyXUAHVTMEMZBPHX-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline
CID 79846865
3-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylthian-3-amine
CID 79947900
1-(aminomethyl)-N-(4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65385792
1-(aminomethyl)-N-(4-methoxyphenyl)cyclooctan-1-amine
CID 65383457
N-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-4-methoxyaniline
CID 115999128
3-(aminomethyl)-N-(4-methoxyphenyl)piperidin-3-amine
CID 105496857
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-4-methoxyaniline
CID 107449144
1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene
CID 11252954
[1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine
CID 84686797
1-(4-methoxyanilino)cyclohexane-1-carboxamide
CID 2310511
1-(4-methoxyanilino)cycloheptane-1-carboxamide
CID 54889423
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 62007740

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline?
The IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline (CID 79857246) is N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline?
The canonical SMILES for N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline is COc1ccc(NC2(CN)CCCC2(C)C)cc1.
What is the InChIKey of N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline?
The InChIKey is XUAHVTMEMZBPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-14(2)9-4-10-15(14,11-16)17-12-5-7-13(18-3)8-6-12/h5-8,17H,4,9-11,16H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline?
N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-4-methoxyaniline has a molecular weight of 248.37 g/mol, XLogP of 3.01, 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-dimethylcyclopentyl]-4-methoxyaniline is sourced from PubChem (CID 79857246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).