2-chloro-N-hept-6-enyl-5-methylaniline

C14H20ClN — CID 107634399

IUPAC2-chloro-N-hept-6-enyl-5-methylaniline
SMILESC=CCCCCCNc1cc(C)ccc1Cl
InChIInChI=1S/C14H20ClN/c1-3-4-5-6-7-10-16-14-11-12(2)8-9-13(14)15/h3,8-9,11,16H,1,4-7,10H2,2H3
InChIKeyILAXPNKKKBDSJJ-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.81
Rot. Bonds7

About 2-chloro-N-hept-6-enyl-5-methylaniline

2-chloro-N-hept-6-enyl-5-methylaniline (PubChem CID 107634399) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-chloro-N-hept-6-enyl-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-hept-6-enyl-5-methylaniline
PubChem CID107634399
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-chloro-N-hept-6-enyl-5-methylaniline
SMILESC=CCCCCCNc1cc(C)ccc1Cl
InChIInChI=1S/C14H20ClN/c1-3-4-5-6-7-10-16-14-11-12(2)8-9-13(14)15/h3,8-9,11,16H,1,4-7,10H2,2H3
InChIKeyILAXPNKKKBDSJJ-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-decyl-4-methylaniline
CID 63489010
N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline
CID 107634618
2-(2-chloro-5-methylanilino)acetic acid
CID 103691548
[3-(but-3-enylamino)-4-chlorophenyl]methanol
CID 111448182
2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 103768047
N-oct-7-enylaniline
CID 101291024
4-ethyl-N-hept-6-enyl-3-methylaniline
CID 114250202
N-benzyl-2-chloro-5-methylaniline
CID 83290853
(2S)-1-(2-chloro-5-methylanilino)propan-2-ol
CID 107634835
1-hept-6-enyl-2,4-dimethylbenzene
CID 91041017
4-chloro-2-hept-6-enoxy-1-methylbenzene
CID 107010573
ethyl 2-(2-chloro-5-methylanilino)acetate
CID 103768009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hept-6-enyl-5-methylaniline?
The IUPAC name of 2-chloro-N-hept-6-enyl-5-methylaniline (CID 107634399) is 2-chloro-N-hept-6-enyl-5-methylaniline.
What is the SMILES notation for 2-chloro-N-hept-6-enyl-5-methylaniline?
The canonical SMILES for 2-chloro-N-hept-6-enyl-5-methylaniline is C=CCCCCCNc1cc(C)ccc1Cl.
What is the InChIKey of 2-chloro-N-hept-6-enyl-5-methylaniline?
The InChIKey is ILAXPNKKKBDSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-3-4-5-6-7-10-16-14-11-12(2)8-9-13(14)15/h3,8-9,11,16H,1,4-7,10H2,2H3.
What are the key properties of 2-chloro-N-hept-6-enyl-5-methylaniline?
2-chloro-N-hept-6-enyl-5-methylaniline has a molecular weight of 237.77 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hept-6-enyl-5-methylaniline is sourced from PubChem (CID 107634399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).