N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine

C15H22ClN — CID 113464545

IUPACN-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine
SMILESC=C(Cl)CNC(C)c1ccc(CCCC)cc1
InChIInChI=1S/C15H22ClN/c1-4-5-6-14-7-9-15(10-8-14)13(3)17-11-12(2)16/h7-10,13,17H,2,4-6,11H2,1,3H3
InChIKeyJFWCBQLSUSTMGB-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.43
Rot. Bonds7

About N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine

N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine (PubChem CID 113464545) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine
PubChem CID113464545
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine
SMILESC=C(Cl)CNC(C)c1ccc(CCCC)cc1
InChIInChI=1S/C15H22ClN/c1-4-5-6-14-7-9-15(10-8-14)13(3)17-11-12(2)16/h7-10,13,17H,2,4-6,11H2,1,3H3
InChIKeyJFWCBQLSUSTMGB-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(4-butylphenyl)ethyl]prop-2-en-1-amine
CID 113464993
1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide
CID 113238577
3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359024
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098
N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 54922154
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81352556
2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol
CID 63294725
1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43096351

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine?
The IUPAC name of N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine (CID 113464545) is N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine.
What is the SMILES notation for N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine?
The canonical SMILES for N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine is C=C(Cl)CNC(C)c1ccc(CCCC)cc1.
What is the InChIKey of N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine?
The InChIKey is JFWCBQLSUSTMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-4-5-6-14-7-9-15(10-8-14)13(3)17-11-12(2)16/h7-10,13,17H,2,4-6,11H2,1,3H3.
What are the key properties of N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine?
N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine is sourced from PubChem (CID 113464545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).