(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine

C18H31NO — CID 126619606

IUPAC(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine
SMILESCCCC(CCC)COc1cccc(C[C@@H](C)CN)c1
InChIInChI=1S/C18H31NO/c1-4-7-16(8-5-2)14-20-18-10-6-9-17(12-18)11-15(3)13-19/h6,9-10,12,15-16H,4-5,7-8,11,13-14,19H2,1-3H3/t15-/m1/s1
InChIKeyVXSFTCYIRPIUOH-OAHLLOKOSA-N
MW277.45 g/mol
LogP4.42
Rot. Bonds10

About (2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine

(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine (PubChem CID 126619606) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine
PubChem CID126619606
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine
SMILESCCCC(CCC)COc1cccc(C[C@@H](C)CN)c1
InChIInChI=1S/C18H31NO/c1-4-7-16(8-5-2)14-20-18-10-6-9-17(12-18)11-15(3)13-19/h6,9-10,12,15-16H,4-5,7-8,11,13-14,19H2,1-3H3/t15-/m1/s1
InChIKeyVXSFTCYIRPIUOH-OAHLLOKOSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-methyl-3-[3-(2-propylpentoxy)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

[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
CID 69097361
1-butyl-3-(2-propylpentoxy)benzene
CID 69097315
(2R)-3-(3-ethylphenoxy)-2-methylpropan-1-amine
CID 93264285
1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol
CID 67316817
(1S,2R)-3-amino-2-methyl-1-[3-(2-propylpentoxy)phenyl]propan-1-ol
CID 118334144
3-[3-(2-propylpentoxy)phenyl]propylhydrazine
CID 170000414
(2R)-3-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-amine
CID 97057965
1-bromo-3-(2-propylpentoxy)benzene
CID 67316784
(2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine
CID 163746108
1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol
CID 130373175
3-(3-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114522991

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine?
The IUPAC name of (2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine (CID 126619606) is (2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine.
What is the SMILES notation for (2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine?
The canonical SMILES for (2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine is CCCC(CCC)COc1cccc(C[C@@H](C)CN)c1.
What is the InChIKey of (2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine?
The InChIKey is VXSFTCYIRPIUOH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-7-16(8-5-2)14-20-18-10-6-9-17(12-18)11-15(3)13-19/h6,9-10,12,15-16H,4-5,7-8,11,13-14,19H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine?
(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine is sourced from PubChem (CID 126619606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).