2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol

C16H27N3O — CID 64796768

IUPAC2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol
SMILESCNC(CO)(CN1CCCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-17-16(14-20,15-7-4-3-5-8-15)13-19-10-6-9-18(2)11-12-19/h3-5,7-8,17,20H,6,9-14H2,1-2H3
InChIKeyKFKQDSLFUUHTDZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.73
Rot. Bonds5

About 2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol

2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol (PubChem CID 64796768) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol
PubChem CID64796768
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol
SMILESCNC(CO)(CN1CCCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-17-16(14-20,15-7-4-3-5-8-15)13-19-10-6-9-18(2)11-12-19/h3-5,7-8,17,20H,6,9-14H2,1-2H3
InChIKeyKFKQDSLFUUHTDZ-UHFFFAOYSA-N
XLogP0.73
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-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

3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 64827049
2-(ethylamino)-2-phenyl-3-piperidin-1-ylpropan-1-ol
CID 64789866
3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol
CID 64790992
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
CID 66371052
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 65322650
2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid
CID 62270100
3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine
CID 43829761
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
CID 64787052
4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695306
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol
CID 104961356
2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol
CID 64811940
4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695614

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol?
The IUPAC name of 2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol (CID 64796768) is 2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol is CNC(CO)(CN1CCCN(C)CC1)c1ccccc1.
What is the InChIKey of 2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol?
The InChIKey is KFKQDSLFUUHTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-17-16(14-20,15-7-4-3-5-8-15)13-19-10-6-9-18(2)11-12-19/h3-5,7-8,17,20H,6,9-14H2,1-2H3.
What are the key properties of 2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol?
2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 64796768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).