N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline

C17H20ClN — CID 43101592

IUPACN-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NC(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClN/c1-12(2)14-7-9-17(10-8-14)19-13(3)15-5-4-6-16(18)11-15/h4-13,19H,1-3H3
InChIKeyALXRTONXLRARNY-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.64
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline

N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline (PubChem CID 43101592) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
PubChem CID43101592
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NC(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClN/c1-12(2)14-7-9-17(10-8-14)19-13(3)15-5-4-6-16(18)11-15/h4-13,19H,1-3H3
InChIKeyALXRTONXLRARNY-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine
CID 114052686
4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline
CID 43105622
3-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43098367
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
[4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide
CID 43745219
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838027
N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline
CID 60928680

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline (CID 43101592) is N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline is CC(C)c1ccc(NC(C)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline?
The InChIKey is ALXRTONXLRARNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12(2)14-7-9-17(10-8-14)19-13(3)15-5-4-6-16(18)11-15/h4-13,19H,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline?
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline has a molecular weight of 273.81 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline is sourced from PubChem (CID 43101592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).