3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine

C12H16ClN — CID 117299694

IUPAC3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine
SMILESC=C(C)c1cc(Cl)cc(CCCN)c1
InChIInChI=1S/C12H16ClN/c1-9(2)11-6-10(4-3-5-14)7-12(13)8-11/h6-8H,1,3-5,14H2,2H3
InChIKeyPTXHSUCPKJZIQM-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.26
Rot. Bonds4

About 3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine

3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine (PubChem CID 117299694) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine
PubChem CID117299694
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine
SMILESC=C(C)c1cc(Cl)cc(CCCN)c1
InChIInChI=1S/C12H16ClN/c1-9(2)11-6-10(4-3-5-14)7-12(13)8-11/h6-8H,1,3-5,14H2,2H3
InChIKeyPTXHSUCPKJZIQM-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-5-methylphenyl)propan-1-amine
CID 83696794
5-(3,5-dichlorophenyl)pentan-1-amine
CID 158105939
(3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride
CID 84711412
3-chloro-5-prop-1-en-2-ylphenol
CID 84653274
2-(3,5-dichlorophenyl)ethanamine
CID 15670830
4-(3-chloro-5-fluorophenyl)butan-1-amine
CID 114454855
4-(3-aminopropyl)-2-chloro-6-methylphenol
CID 84775581
1-chloro-3,5-dimethylbenzene;N'-[5-(3-prop-1-en-2-ylphenyl)pent-1-en-2-ylamino]ethanimidamide
CID 142077405
methyl 3-(3-bromopropyl)-5-chlorobenzoate
CID 134649009
[3-(3-chloro-5-prop-1-en-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117377957
O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine
CID 117393277
5-(3-aminopropyl)-3-chloro-2-fluorophenol
CID 84777602

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine (CID 117299694) is 3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine is C=C(C)c1cc(Cl)cc(CCCN)c1.
What is the InChIKey of 3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine?
The InChIKey is PTXHSUCPKJZIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9(2)11-6-10(4-3-5-14)7-12(13)8-11/h6-8H,1,3-5,14H2,2H3.
What are the key properties of 3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine?
3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine has a molecular weight of 209.72 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 117299694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).