2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol

C11H18N2O — CID 112718038

IUPAC2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol
SMILESNCC(CO)CCc1ccc(N)cc1
InChIInChI=1S/C11H18N2O/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-6,10,14H,1-2,7-8,12-13H2
InChIKeyGXYNRPWZEPJLIL-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.77
Rot. Bonds5

About 2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol

2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol (PubChem CID 112718038) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol
PubChem CID112718038
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol
SMILESNCC(CO)CCc1ccc(N)cc1
InChIInChI=1S/C11H18N2O/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-6,10,14H,1-2,7-8,12-13H2
InChIKeyGXYNRPWZEPJLIL-UHFFFAOYSA-N
XLogP0.77
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminophenyl)methyl]propane-1,3-diol
CID 19593975
2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine
CID 83930827
2-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
CID 130315848
2-[2-[4-[2-(4-propylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol;prop-1-yne
CID 162008695
4-[3-amino-3-(4-aminophenyl)propyl]aniline
CID 22432
4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol
CID 174651155
2-[2-(4-methylsulfonylphenyl)ethyl]propane-1,3-diol
CID 83926331
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
3-(4-aminophenyl)propane-1,2-diol
CID 130130867
3-amino-2-(4-aminophenyl)propan-1-ol
CID 131676348
2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol
CID 115524491
4-[2-[4-[1-[4-[2-(4-aminophenyl)ethyl]phenyl]butyl]phenyl]ethyl]aniline
CID 139903306

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol (CID 112718038) is 2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol is NCC(CO)CCc1ccc(N)cc1.
What is the InChIKey of 2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol?
The InChIKey is GXYNRPWZEPJLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-6,10,14H,1-2,7-8,12-13H2.
What are the key properties of 2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol?
2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(4-aminophenyl)butan-1-ol is sourced from PubChem (CID 112718038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).