2-(4-benzylphenoxy)-N-methylpropan-1-amine

C17H21NO — CID 62441040

IUPAC2-(4-benzylphenoxy)-N-methylpropan-1-amine
SMILESCNCC(C)Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14(13-18-2)19-17-10-8-16(9-11-17)12-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3
InChIKeyZJBXNJNASBHSHN-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.26
Rot. Bonds6

About 2-(4-benzylphenoxy)-N-methylpropan-1-amine

2-(4-benzylphenoxy)-N-methylpropan-1-amine (PubChem CID 62441040) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(4-benzylphenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-benzylphenoxy)-N-methylpropan-1-amine
PubChem CID62441040
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(4-benzylphenoxy)-N-methylpropan-1-amine
SMILESCNCC(C)Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14(13-18-2)19-17-10-8-16(9-11-17)12-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3
InChIKeyZJBXNJNASBHSHN-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-benzylphenoxy)-N-methylpropan-1-amine 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-ethylphenoxy)-N-methylpropan-1-amine
CID 54798642
4-(4-benzylphenoxy)-N-methylpentan-2-amine
CID 64720908
1-(4-benzylphenoxy)-3-(methylamino)propan-2-ol
CID 62274722
1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine
CID 92983616
N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine
CID 62450460
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
2-(4-benzylphenoxy)propanimidamide
CID 55054330
N-(2-phenoxypropyl)butan-2-amine
CID 54802133
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369
1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol
CID 106939509

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenoxy)-N-methylpropan-1-amine?
The IUPAC name of 2-(4-benzylphenoxy)-N-methylpropan-1-amine (CID 62441040) is 2-(4-benzylphenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-benzylphenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-benzylphenoxy)-N-methylpropan-1-amine is CNCC(C)Oc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzylphenoxy)-N-methylpropan-1-amine?
The InChIKey is ZJBXNJNASBHSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(13-18-2)19-17-10-8-16(9-11-17)12-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3.
What are the key properties of 2-(4-benzylphenoxy)-N-methylpropan-1-amine?
2-(4-benzylphenoxy)-N-methylpropan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 62441040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).