3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol

C17H27NO2 — CID 62624909

IUPAC3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)CCN(C)CC1CCCCO1
InChIInChI=1S/C17H27NO2/c1-14-7-3-4-9-16(14)17(19)10-11-18(2)13-15-8-5-6-12-20-15/h3-4,7,9,15,17,19H,5-6,8,10-13H2,1-2H3
InChIKeyYWNPSRKANBBJEE-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.92
Rot. Bonds6

About 3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol

3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol (PubChem CID 62624909) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol
PubChem CID62624909
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)CCN(C)CC1CCCCO1
InChIInChI=1S/C17H27NO2/c1-14-7-3-4-9-16(14)17(19)10-11-18(2)13-15-8-5-6-12-20-15/h3-4,7,9,15,17,19H,5-6,8,10-13H2,1-2H3
InChIKeyYWNPSRKANBBJEE-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)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

3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol
CID 62613757
N,N'-dimethyl-1-(2-methylphenyl)-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62630443
1-(4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 55099454
N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62611613
3-[methyl(oxolan-3-yl)amino]-1-(2-methylphenyl)propan-1-ol
CID 82754684
1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol
CID 64820238
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624580
[1-(2-methylphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267276
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825178
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol
CID 62625066
1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol
CID 110902060

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol (CID 62624909) is 3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(O)CCN(C)CC1CCCCO1.
What is the InChIKey of 3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The InChIKey is YWNPSRKANBBJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-7-3-4-9-16(14)17(19)10-11-18(2)13-15-8-5-6-12-20-15/h3-4,7,9,15,17,19H,5-6,8,10-13H2,1-2H3.
What are the key properties of 3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol?
3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 62624909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).