2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol

C14H23NO — CID 115724716

IUPAC2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol
SMILESCc1ccc(CCC(C)NC(C)CO)cc1
InChIInChI=1S/C14H23NO/c1-11-4-7-14(8-5-11)9-6-12(2)15-13(3)10-16/h4-5,7-8,12-13,15-16H,6,9-10H2,1-3H3
InChIKeyBLFSLMWBZCPGEZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.29
Rot. Bonds6

About 2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol

2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol (PubChem CID 115724716) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol
PubChem CID115724716
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol
SMILESCc1ccc(CCC(C)NC(C)CO)cc1
InChIInChI=1S/C14H23NO/c1-11-4-7-14(8-5-11)9-6-12(2)15-13(3)10-16/h4-5,7-8,12-13,15-16H,6,9-10H2,1-3H3
InChIKeyBLFSLMWBZCPGEZ-UHFFFAOYSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-4-(4-methylphenyl)butan-2-yl]amino]propane-1,3-diol
CID 97323021
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003
(2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol
CID 114987010
2-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
CID 130315848
(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 93082887
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[3-(1-aminopropan-2-ylamino)butyl]phenol
CID 103388958
5-(4-methylphenyl)pentane-2,3-diol
CID 67119841
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
4-[3-[[2-hydroxy-1-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 67719171
N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine
CID 115705553
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol?
The IUPAC name of 2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol (CID 115724716) is 2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol.
What is the SMILES notation for 2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol?
The canonical SMILES for 2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol is Cc1ccc(CCC(C)NC(C)CO)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol?
The InChIKey is BLFSLMWBZCPGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-4-7-14(8-5-11)9-6-12(2)15-13(3)10-16/h4-5,7-8,12-13,15-16H,6,9-10H2,1-3H3.
What are the key properties of 2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol?
2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol is sourced from PubChem (CID 115724716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).