(1S)-1-(4-hexylphenyl)ethanamine

C14H23N — CID 25324494

IUPAC(1S)-1-(4-hexylphenyl)ethanamine
SMILESCCCCCCc1ccc([C@H](C)N)cc1
InChIInChI=1S/C14H23N/c1-3-4-5-6-7-13-8-10-14(11-9-13)12(2)15/h8-12H,3-7,15H2,1-2H3/t12-/m0/s1
InChIKeyCIHXLHDRIVXUKS-LBPRGKRZSA-N
MW205.34 g/mol
LogP3.83
Rot. Bonds6

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

(1S)-1-(4-hexylphenyl)ethanamine (PubChem CID 25324494) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (1S)-1-(4-hexylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-hexylphenyl)ethanamine
PubChem CID25324494
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(1S)-1-(4-hexylphenyl)ethanamine
SMILESCCCCCCc1ccc([C@H](C)N)cc1
InChIInChI=1S/C14H23N/c1-3-4-5-6-7-13-8-10-14(11-9-13)12(2)15/h8-12H,3-7,15H2,1-2H3/t12-/m0/s1
InChIKeyCIHXLHDRIVXUKS-LBPRGKRZSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
(1S)-1-(4-octylphenyl)ethanol
CID 67859464
2-amino-2-(4-octylphenyl)ethanol
CID 19881300
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
(1R)-1-(4-pentylphenyl)ethane-1,2-diamine
CID 66517020
1-butyl-4-nonylbenzene
CID 59545302
bis(4-tridecylphenyl)methanol
CID 139673626
1,2-bis(4-octylphenyl)ethane-1,2-dithiol
CID 101102627
[(1R)-1-(4-pentylphenyl)ethyl]hydrazine
CID 124633889
1-(4-pentylphenyl)ethylhydrazine
CID 53402344
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-hexylphenyl)ethanamine?
The IUPAC name of (1S)-1-(4-hexylphenyl)ethanamine (CID 25324494) is (1S)-1-(4-hexylphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-hexylphenyl)ethanamine?
The canonical SMILES for (1S)-1-(4-hexylphenyl)ethanamine is CCCCCCc1ccc([C@H](C)N)cc1.
What is the InChIKey of (1S)-1-(4-hexylphenyl)ethanamine?
The InChIKey is CIHXLHDRIVXUKS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N/c1-3-4-5-6-7-13-8-10-14(11-9-13)12(2)15/h8-12H,3-7,15H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(4-hexylphenyl)ethanamine?
(1S)-1-(4-hexylphenyl)ethanamine has a molecular weight of 205.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-hexylphenyl)ethanamine is sourced from PubChem (CID 25324494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).