[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol

C14H22N2O — CID 115358022

IUPAC[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
SMILESCc1cc(N)ccc1NCC1(CO)CCCC1
InChIInChI=1S/C14H22N2O/c1-11-8-12(15)4-5-13(11)16-9-14(10-17)6-2-3-7-14/h4-5,8,16-17H,2-3,6-7,9-10,15H2,1H3
InChIKeyORICBYKYWWCUCN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.54
Rot. Bonds4

About [1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol

[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol (PubChem CID 115358022) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
PubChem CID115358022
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
SMILESCc1cc(N)ccc1NCC1(CO)CCCC1
InChIInChI=1S/C14H22N2O/c1-11-8-12(15)4-5-13(11)16-9-14(10-17)6-2-3-7-14/h4-5,8,16-17H,2-3,6-7,9-10,15H2,1H3
InChIKeyORICBYKYWWCUCN-UHFFFAOYSA-N
XLogP2.54
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
CID 81413360
[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol
CID 115555162
4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358089
[1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol
CID 81399768
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180
1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine
CID 114112814
4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358011
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide
CID 115358015
5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide
CID 103287233

Frequently Asked Questions

What is the IUPAC name of [1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol (CID 115358022) is [1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol is Cc1cc(N)ccc1NCC1(CO)CCCC1.
What is the InChIKey of [1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol?
The InChIKey is ORICBYKYWWCUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-8-12(15)4-5-13(11)16-9-14(10-17)6-2-3-7-14/h4-5,8,16-17H,2-3,6-7,9-10,15H2,1H3.
What are the key properties of [1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol?
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).