1-(3-chlorophenyl)-N-methylbut-3-en-1-amine

C11H14ClN — CID 61380748

IUPAC1-(3-chlorophenyl)-N-methylbut-3-en-1-amine
SMILESC=CCC(NC)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClN/c1-3-5-11(13-2)9-6-4-7-10(12)8-9/h3-4,6-8,11,13H,1,5H2,2H3
InChIKeyRHBXNUGSXXVIOR-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.18
Rot. Bonds4

About 1-(3-chlorophenyl)-N-methylbut-3-en-1-amine

1-(3-chlorophenyl)-N-methylbut-3-en-1-amine (PubChem CID 61380748) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methylbut-3-en-1-amine
PubChem CID61380748
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1-(3-chlorophenyl)-N-methylbut-3-en-1-amine
SMILESC=CCC(NC)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClN/c1-3-5-11(13-2)9-6-4-7-10(12)8-9/h3-4,6-8,11,13H,1,5H2,2H3
InChIKeyRHBXNUGSXXVIOR-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.18
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-benzyl-1-(3-chlorophenyl)but-3-en-1-amine
CID 102395596
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
(1R)-1-(3-chlorophenyl)but-3-en-1-amine
CID 12984122
2-(3-chlorophenyl)pent-4-enenitrile
CID 14326072
1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63411987
2-(4-bromophenyl)sulfanyl-1-(3-chlorophenyl)-N-methylethanamine
CID 66054713
(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838557
2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine
CID 105108066
N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine
CID 113437828
benzyl N-[1-(3-chlorophenyl)but-3-enyl]carbamate
CID 11438457
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylbut-3-en-1-amine
CID 115814424
1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62629730

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methylbut-3-en-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-methylbut-3-en-1-amine (CID 61380748) is 1-(3-chlorophenyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methylbut-3-en-1-amine is C=CCC(NC)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methylbut-3-en-1-amine?
The InChIKey is RHBXNUGSXXVIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-3-5-11(13-2)9-6-4-7-10(12)8-9/h3-4,6-8,11,13H,1,5H2,2H3.
What are the key properties of 1-(3-chlorophenyl)-N-methylbut-3-en-1-amine?
1-(3-chlorophenyl)-N-methylbut-3-en-1-amine has a molecular weight of 195.69 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 61380748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).