N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine

C14H20ClN — CID 115899472

IUPACN-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN/c1-4-5-7-11(2)16-12(3)13-8-6-9-14(15)10-13/h4,6,8-12,16H,1,5,7H2,2-3H3
InChIKeyCYTUPFCMTJBVBU-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.35
Rot. Bonds6

About N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine

N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine (PubChem CID 115899472) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine
PubChem CID115899472
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN/c1-4-5-7-11(2)16-12(3)13-8-6-9-14(15)10-13/h4,6,8-12,16H,1,5,7H2,2-3H3
InChIKeyCYTUPFCMTJBVBU-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine
CID 113437828
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[1-(2,4-dichlorophenyl)ethyl]hex-5-en-2-amine
CID 104655327
N-[1-(3-chlorophenyl)ethyl]nonan-2-amine
CID 43129958
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine
CID 104583908
N-[1-(3-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43105060
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine
CID 104655811
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
(2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butan-1-ol
CID 28724284
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine (CID 115899472) is N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine is C=CCCC(C)NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine?
The InChIKey is CYTUPFCMTJBVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-4-5-7-11(2)16-12(3)13-8-6-9-14(15)10-13/h4,6,8-12,16H,1,5,7H2,2-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine?
N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine has a molecular weight of 237.77 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]hex-5-en-2-amine is sourced from PubChem (CID 115899472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).