3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol

C14H24N2O — CID 65378027

IUPAC3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol
SMILESCC(CN)(CCc1ccccc1)NCCCO
InChIInChI=1S/C14H24N2O/c1-14(12-15,16-10-5-11-17)9-8-13-6-3-2-4-7-13/h2-4,6-7,16-17H,5,8-12,15H2,1H3
InChIKeyTWZPGHHWVOCOKG-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.31
Rot. Bonds8

About 3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol

3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol (PubChem CID 65378027) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol
PubChem CID65378027
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol
SMILESCC(CN)(CCc1ccccc1)NCCCO
InChIInChI=1S/C14H24N2O/c1-14(12-15,16-10-5-11-17)9-8-13-6-3-2-4-7-13/h2-4,6-7,16-17H,5,8-12,15H2,1H3
InChIKeyTWZPGHHWVOCOKG-UHFFFAOYSA-N
XLogP1.31
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-phenyl-3-(propylamino)pentan-1-ol
CID 65234500
2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine
CID 102912698
2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine
CID 106173509
3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol
CID 110174091
1,3-dichloro-2-methyl-N-(4-phenylbutyl)propan-2-amine
CID 114334733
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
3-(ethylamino)-3-methyl-5-phenylpentanamide
CID 65233623
3-methyl-3-(methylamino)-5-phenylpentanamide
CID 65236751
2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid
CID 114990394
N-methylmethanamine;3-phenylpropan-1-ol
CID 174893841
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol
CID 65380128

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol (CID 65378027) is 3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol is CC(CN)(CCc1ccccc1)NCCCO.
What is the InChIKey of 3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol?
The InChIKey is TWZPGHHWVOCOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(12-15,16-10-5-11-17)9-8-13-6-3-2-4-7-13/h2-4,6-7,16-17H,5,8-12,15H2,1H3.
What are the key properties of 3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol?
3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 65378027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).