(1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine

C17H29NO2 — CID 170640517

IUPAC(1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine
SMILESCCCC(C)COc1ccc([C@@H](N)C(C)(C)OC)cc1
InChIInChI=1S/C17H29NO2/c1-6-7-13(2)12-20-15-10-8-14(9-11-15)16(18)17(3,4)19-5/h8-11,13,16H,6-7,12,18H2,1-5H3/t13?,16-/m1/s1
InChIKeyGEBWKEACFWJONY-FQNRMIAFSA-N
MW279.42 g/mol
LogP3.93
Rot. Bonds8

About (1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine

(1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine (PubChem CID 170640517) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is (1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine
PubChem CID170640517
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name(1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine
SMILESCCCC(C)COc1ccc([C@@H](N)C(C)(C)OC)cc1
InChIInChI=1S/C17H29NO2/c1-6-7-13(2)12-20-15-10-8-14(9-11-15)16(18)17(3,4)19-5/h8-11,13,16H,6-7,12,18H2,1-5H3/t13?,16-/m1/s1
InChIKeyGEBWKEACFWJONY-FQNRMIAFSA-N
XLogP3.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-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

(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine
CID 170640480
lawrencium;(3S)-4-methoxy-4-methyl-3-[4-(2-methylpentoxy)phenyl]pentan-2-amine
CID 170640479
(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol
CID 55189541
(1R)-2-azido-1-[4-(2-methylpentoxy)phenyl]ethanamine
CID 86658398
1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol
CID 170640580
2-[(R)-amino-[4-[(2R)-1,1-dideuterio-2-methylpentoxy]phenyl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol
CID 170640520
ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate
CID 176893719
2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine
CID 107886407
2-methoxy-4-(2-methylpentoxy)aniline
CID 103282930
[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] acetate
CID 67086154
[2-[4-(2-methylpentoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] acetate
CID 67086159
[(1R)-2-hydroxy-2-methyl-1-[4-[(2R)-2-methylpentoxy]phenyl]propyl] N-tert-butylcarbamate
CID 170640575

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine (CID 170640517) is (1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine is CCCC(C)COc1ccc([C@@H](N)C(C)(C)OC)cc1.
What is the InChIKey of (1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine?
The InChIKey is GEBWKEACFWJONY-FQNRMIAFSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-7-13(2)12-20-15-10-8-14(9-11-15)16(18)17(3,4)19-5/h8-11,13,16H,6-7,12,18H2,1-5H3/t13?,16-/m1/s1.
What are the key properties of (1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine?
(1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine is sourced from PubChem (CID 170640517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).