2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol

C16H27NO — CID 115250761

IUPAC2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol
SMILESCCC(CO)CNCc1ccc(CC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-4-14(12-18)10-17-11-16-7-5-15(6-8-16)9-13(2)3/h5-8,13-14,17-18H,4,9-12H2,1-3H3
InChIKeyPQZLNIGLXPVTCB-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.99
Rot. Bonds8

About 2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol

2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol (PubChem CID 115250761) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol
PubChem CID115250761
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol
SMILESCCC(CO)CNCc1ccc(CC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-4-14(12-18)10-17-11-16-7-5-15(6-8-16)9-13(2)3/h5-8,13-14,17-18H,4,9-12H2,1-3H3
InChIKeyPQZLNIGLXPVTCB-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-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-[[(4-bromophenyl)methylamino]methyl]butan-1-ol
CID 115250747
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol
CID 115250742
2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115406032
2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol
CID 115250860
2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol
CID 115250760
1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol
CID 103748523
N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine
CID 116931795
3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol
CID 113328387
2-[4-[(2-ethylbutylamino)methyl]phenyl]propanoic acid
CID 103267076

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol?
The IUPAC name of 2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol (CID 115250761) is 2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol is CCC(CO)CNCc1ccc(CC(C)C)cc1.
What is the InChIKey of 2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol?
The InChIKey is PQZLNIGLXPVTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-14(12-18)10-17-11-16-7-5-15(6-8-16)9-13(2)3/h5-8,13-14,17-18H,4,9-12H2,1-3H3.
What are the key properties of 2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol?
2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol is sourced from PubChem (CID 115250761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).