(1S)-1-(4-propylphenyl)ethanamine

C11H17N — CID 7047688

IUPAC(1S)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc([C@H](C)N)cc1
InChIInChI=1S/C11H17N/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-9H,3-4,12H2,1-2H3/t9-/m0/s1
InChIKeyJJHHWCQQAOZVKQ-VIFPVBQESA-N
MW163.26 g/mol
LogP2.66
Rot. Bonds3

About (1S)-1-(4-propylphenyl)ethanamine

(1S)-1-(4-propylphenyl)ethanamine (PubChem CID 7047688) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (1S)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-propylphenyl)ethanamine
PubChem CID7047688
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(1S)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc([C@H](C)N)cc1
InChIInChI=1S/C11H17N/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-9H,3-4,12H2,1-2H3/t9-/m0/s1
InChIKeyJJHHWCQQAOZVKQ-VIFPVBQESA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-hexylphenyl)ethanamine
CID 25324494
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
2-amino-2-(4-propylphenyl)acetonitrile
CID 90203158
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683
1-(3-propylphenyl)ethanamine
CID 116543909
1,2-bis(4-propylphenyl)ethane-1,2-dithiol
CID 101102622
2-amino-2-(4-propylphenyl)acetamide
CID 116850738
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
4-methyl-3-(4-propylphenyl)pentan-1-amine
CID 112507881
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-propylphenyl)ethanamine?
The IUPAC name of (1S)-1-(4-propylphenyl)ethanamine (CID 7047688) is (1S)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for (1S)-1-(4-propylphenyl)ethanamine is CCCc1ccc([C@H](C)N)cc1.
What is the InChIKey of (1S)-1-(4-propylphenyl)ethanamine?
The InChIKey is JJHHWCQQAOZVKQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-9H,3-4,12H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-(4-propylphenyl)ethanamine?
(1S)-1-(4-propylphenyl)ethanamine has a molecular weight of 163.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 7047688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).