[1-[(3-aminoanilino)methyl]cyclopropyl]methanol

C11H16N2O — CID 115454159

IUPAC[1-[(3-aminoanilino)methyl]cyclopropyl]methanol
SMILESNc1cccc(NCC2(CO)CC2)c1
InChIInChI=1S/C11H16N2O/c12-9-2-1-3-10(6-9)13-7-11(8-14)4-5-11/h1-3,6,13-14H,4-5,7-8,12H2
InChIKeyJBZNNVNMSAUCLT-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.45
Rot. Bonds4

About [1-[(3-aminoanilino)methyl]cyclopropyl]methanol

[1-[(3-aminoanilino)methyl]cyclopropyl]methanol (PubChem CID 115454159) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is [1-[(3-aminoanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(3-aminoanilino)methyl]cyclopropyl]methanol
PubChem CID115454159
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name[1-[(3-aminoanilino)methyl]cyclopropyl]methanol
SMILESNc1cccc(NCC2(CO)CC2)c1
InChIInChI=1S/C11H16N2O/c12-9-2-1-3-10(6-9)13-7-11(8-14)4-5-11/h1-3,6,13-14H,4-5,7-8,12H2
InChIKeyJBZNNVNMSAUCLT-UHFFFAOYSA-N
XLogP1.45
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.45
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

3-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzoic acid
CID 102823238
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclopropyl]methanol
CID 113313129
3-amino-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzenesulfonamide
CID 113313131
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
CID 102823234
[1-[(4-amino-2,6-difluoroanilino)methyl]cyclopropyl]methanol
CID 115454129
1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol
CID 65116709
[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol
CID 81410870
[1-[(2-amino-3-fluoroanilino)methyl]cyclopropyl]methanol
CID 115454133
[1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol
CID 115243213
3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine
CID 12040476
2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 103965193

Frequently Asked Questions

What is the IUPAC name of [1-[(3-aminoanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(3-aminoanilino)methyl]cyclopropyl]methanol (CID 115454159) is [1-[(3-aminoanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(3-aminoanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(3-aminoanilino)methyl]cyclopropyl]methanol is Nc1cccc(NCC2(CO)CC2)c1.
What is the InChIKey of [1-[(3-aminoanilino)methyl]cyclopropyl]methanol?
The InChIKey is JBZNNVNMSAUCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-9-2-1-3-10(6-9)13-7-11(8-14)4-5-11/h1-3,6,13-14H,4-5,7-8,12H2.
What are the key properties of [1-[(3-aminoanilino)methyl]cyclopropyl]methanol?
[1-[(3-aminoanilino)methyl]cyclopropyl]methanol has a molecular weight of 192.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-aminoanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115454159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).