N-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine

C17H24ClN — CID 82215634

IUPACN-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC(Cl)c1ccc(CCC)cc1
InChIInChI=1S/C17H24ClN/c1-4-7-15-8-10-16(11-9-15)17(18)14-19(12-5-2)13-6-3/h5-6,8-11,17H,2-4,7,12-14H2,1H3
InChIKeyXAUGRICSIVLANQ-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.59
Rot. Bonds9

About N-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine

N-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 82215634) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID82215634
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC NameN-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC(Cl)c1ccc(CCC)cc1
InChIInChI=1S/C17H24ClN/c1-4-7-15-8-10-16(11-9-15)17(18)14-19(12-5-2)13-6-3/h5-6,8-11,17H,2-4,7,12-14H2,1H3
InChIKeyXAUGRICSIVLANQ-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-chloropropyl)-4-propylbenzene
CID 63432383
N-butyl-N-[2-chloro-2-(4-ethylphenyl)ethyl]butan-1-amine
CID 82214391
1-(1-chloroheptyl)-4-propylbenzene
CID 114753506
1-(4-propylphenyl)prop-2-en-1-ol
CID 83635929
1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene
CID 63432561
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 105346416
1,2-bis(4-propylphenyl)ethane-1,2-dithiol
CID 101102622
dichloro-prop-2-enyl-(4-propylphenyl)silane
CID 67610512
N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine
CID 55198846
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene
CID 63432112
1-butyl-4-(1-chloro-3-methylbutyl)benzene
CID 63431905

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine (CID 82215634) is N-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CC(Cl)c1ccc(CCC)cc1.
What is the InChIKey of N-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is XAUGRICSIVLANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-4-7-15-8-10-16(11-9-15)17(18)14-19(12-5-2)13-6-3/h5-6,8-11,17H,2-4,7,12-14H2,1H3.
What are the key properties of N-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
N-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 277.84 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-2-(4-propylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 82215634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).