N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline

C19H24ClN — CID 43097085

IUPACN-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline
SMILESCCCCc1ccc(C(C)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C19H24ClN/c1-4-5-6-16-8-10-17(11-9-16)15(3)21-18-12-7-14(2)19(20)13-18/h7-13,15,21H,4-6H2,1-3H3
InChIKeyKXKPHFAWEJUNAJ-UHFFFAOYSA-N
MW301.86 g/mol
LogP6.16
Rot. Bonds6

About N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline

N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline (PubChem CID 43097085) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline.

Molecular Properties

Compound NameN-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline
PubChem CID43097085
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline
SMILESCCCCc1ccc(C(C)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C19H24ClN/c1-4-5-6-16-8-10-17(11-9-16)15(3)21-18-12-7-14(2)19(20)13-18/h7-13,15,21H,4-6H2,1-3H3
InChIKeyKXKPHFAWEJUNAJ-UHFFFAOYSA-N
XLogP6.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-butylphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43119123
4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline
CID 43093915
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43100000
2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 104726147
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline
CID 107621050
N-[1-(4-butylphenyl)ethyl]-2,3-dichloroaniline
CID 63421765
3-[1-(4-butylanilino)ethyl]phenol
CID 43110475
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43107503
2-bromo-N-[1-(4-butylphenyl)ethyl]-5-chloroaniline
CID 81269540
N-butyl-2-(3-chloro-4-methylanilino)propanamide
CID 43112915

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline?
The IUPAC name of N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline (CID 43097085) is N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline.
What is the SMILES notation for N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline?
The canonical SMILES for N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline is CCCCc1ccc(C(C)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline?
The InChIKey is KXKPHFAWEJUNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-5-6-16-8-10-17(11-9-16)15(3)21-18-12-7-14(2)19(20)13-18/h7-13,15,21H,4-6H2,1-3H3.
What are the key properties of N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline?
N-[1-(4-butylphenyl)ethyl]-3-chloro-4-methylaniline has a molecular weight of 301.86 g/mol, XLogP of 6.16, 6 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]-3-chloro-4-methylaniline is sourced from PubChem (CID 43097085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).