1-(2-butylphenyl)propan-2-amine

C13H21N — CID 21117027

IUPAC1-(2-butylphenyl)propan-2-amine
SMILESCCCCc1ccccc1CC(C)N
InChIInChI=1S/C13H21N/c1-3-4-7-12-8-5-6-9-13(12)10-11(2)14/h5-6,8-9,11H,3-4,7,10,14H2,1-2H3
InChIKeyRZGGSBOPWZEDJA-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.92
Rot. Bonds5

About 1-(2-butylphenyl)propan-2-amine

1-(2-butylphenyl)propan-2-amine (PubChem CID 21117027) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(2-butylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-butylphenyl)propan-2-amine
PubChem CID21117027
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(2-butylphenyl)propan-2-amine
SMILESCCCCc1ccccc1CC(C)N
InChIInChI=1S/C13H21N/c1-3-4-7-12-8-5-6-9-13(12)10-11(2)14/h5-6,8-9,11H,3-4,7,10,14H2,1-2H3
InChIKeyRZGGSBOPWZEDJA-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[2-[(2S)-2-aminopropyl]phenyl]methanol
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(2-heptylphenyl)methanamine
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1-butyl-2-[1-(2-butylphenyl)ethyl]benzene
CID 19828902
1-nonyl-2-pentylbenzene
CID 54050070
1-dodecyl-2-hexylbenzene
CID 19371073
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361

Frequently Asked Questions

What is the IUPAC name of 1-(2-butylphenyl)propan-2-amine?
The IUPAC name of 1-(2-butylphenyl)propan-2-amine (CID 21117027) is 1-(2-butylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-butylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-butylphenyl)propan-2-amine is CCCCc1ccccc1CC(C)N.
What is the InChIKey of 1-(2-butylphenyl)propan-2-amine?
The InChIKey is RZGGSBOPWZEDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-3-4-7-12-8-5-6-9-13(12)10-11(2)14/h5-6,8-9,11H,3-4,7,10,14H2,1-2H3.
What are the key properties of 1-(2-butylphenyl)propan-2-amine?
1-(2-butylphenyl)propan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butylphenyl)propan-2-amine is sourced from PubChem (CID 21117027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).