2-methyl-3-(3-propylphenyl)butan-1-amine

C14H23N — CID 116546394

IUPAC2-methyl-3-(3-propylphenyl)butan-1-amine
SMILESCCCc1cccc(C(C)C(C)CN)c1
InChIInChI=1S/C14H23N/c1-4-6-13-7-5-8-14(9-13)12(3)11(2)10-15/h5,7-9,11-12H,4,6,10,15H2,1-3H3
InChIKeyGHTNOUFXDSUZKD-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.34
Rot. Bonds5

About 2-methyl-3-(3-propylphenyl)butan-1-amine

2-methyl-3-(3-propylphenyl)butan-1-amine (PubChem CID 116546394) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-methyl-3-(3-propylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(3-propylphenyl)butan-1-amine
PubChem CID116546394
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-methyl-3-(3-propylphenyl)butan-1-amine
SMILESCCCc1cccc(C(C)C(C)CN)c1
InChIInChI=1S/C14H23N/c1-4-6-13-7-5-8-14(9-13)12(3)11(2)10-15/h5,7-9,11-12H,4,6,10,15H2,1-3H3
InChIKeyGHTNOUFXDSUZKD-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine
CID 116546427
N,2-dimethyl-3-(3-propylphenyl)butan-1-amine
CID 116546425
1-(3-chlorobutan-2-yl)-3-propylbenzene
CID 116545543
1-(3-propylphenyl)ethanamine
CID 116543909
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
3-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 81010324
2-(3-propylphenyl)propanal
CID 105436614
3-methyl-1-(3-propylphenyl)pentan-1-amine
CID 105050445
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine
CID 116544446
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine
CID 116936956
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-propylphenyl)butan-1-amine?
The IUPAC name of 2-methyl-3-(3-propylphenyl)butan-1-amine (CID 116546394) is 2-methyl-3-(3-propylphenyl)butan-1-amine.
What is the SMILES notation for 2-methyl-3-(3-propylphenyl)butan-1-amine?
The canonical SMILES for 2-methyl-3-(3-propylphenyl)butan-1-amine is CCCc1cccc(C(C)C(C)CN)c1.
What is the InChIKey of 2-methyl-3-(3-propylphenyl)butan-1-amine?
The InChIKey is GHTNOUFXDSUZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-6-13-7-5-8-14(9-13)12(3)11(2)10-15/h5,7-9,11-12H,4,6,10,15H2,1-3H3.
What are the key properties of 2-methyl-3-(3-propylphenyl)butan-1-amine?
2-methyl-3-(3-propylphenyl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-propylphenyl)butan-1-amine is sourced from PubChem (CID 116546394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).