4-methyl-3-(4-propylphenyl)pentan-1-amine

C15H25N — CID 112507881

IUPAC4-methyl-3-(4-propylphenyl)pentan-1-amine
SMILESCCCc1ccc(C(CCN)C(C)C)cc1
InChIInChI=1S/C15H25N/c1-4-5-13-6-8-14(9-7-13)15(10-11-16)12(2)3/h6-9,12,15H,4-5,10-11,16H2,1-3H3
InChIKeyPWHRDANXEPDDJW-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.73
Rot. Bonds6

About 4-methyl-3-(4-propylphenyl)pentan-1-amine

4-methyl-3-(4-propylphenyl)pentan-1-amine (PubChem CID 112507881) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-methyl-3-(4-propylphenyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-3-(4-propylphenyl)pentan-1-amine
PubChem CID112507881
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-methyl-3-(4-propylphenyl)pentan-1-amine
SMILESCCCc1ccc(C(CCN)C(C)C)cc1
InChIInChI=1S/C15H25N/c1-4-5-13-6-8-14(9-7-13)15(10-11-16)12(2)3/h6-9,12,15H,4-5,10-11,16H2,1-3H3
InChIKeyPWHRDANXEPDDJW-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-butylphenyl)-3-methylbutan-1-amine
CID 112507875
4-(4-propylphenyl)heptan-1-amine
CID 83921500
(3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine
CID 899124
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
1,2-bis(4-propylphenyl)ethane-1,2-dithiol
CID 101102622
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine
CID 112512545
4-(4-ethylphenyl)-3-phenylpentan-1-amine
CID 57150711
N-methyl-3-(4-propylphenyl)butan-2-amine
CID 66438296
4-(4-butylphenyl)pentan-1-amine
CID 82286120
1-(1-phenylpropan-2-yl)-4-propylbenzene
CID 57021691
N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 79645598

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-propylphenyl)pentan-1-amine?
The IUPAC name of 4-methyl-3-(4-propylphenyl)pentan-1-amine (CID 112507881) is 4-methyl-3-(4-propylphenyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-3-(4-propylphenyl)pentan-1-amine?
The canonical SMILES for 4-methyl-3-(4-propylphenyl)pentan-1-amine is CCCc1ccc(C(CCN)C(C)C)cc1.
What is the InChIKey of 4-methyl-3-(4-propylphenyl)pentan-1-amine?
The InChIKey is PWHRDANXEPDDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-5-13-6-8-14(9-7-13)15(10-11-16)12(2)3/h6-9,12,15H,4-5,10-11,16H2,1-3H3.
What are the key properties of 4-methyl-3-(4-propylphenyl)pentan-1-amine?
4-methyl-3-(4-propylphenyl)pentan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-propylphenyl)pentan-1-amine is sourced from PubChem (CID 112507881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).