2-chloro-4-propylaniline

C9H12ClN — CID 19914844

IUPAC2-chloro-4-propylaniline
SMILESCCCc1ccc(N)c(Cl)c1
InChIInChI=1S/C9H12ClN/c1-2-3-7-4-5-9(11)8(10)6-7/h4-6H,2-3,11H2,1H3
InChIKeyCXYVYKDWUDTQSZ-UHFFFAOYSA-N
MW169.65 g/mol
LogP2.87
Rot. Bonds2

About 2-chloro-4-propylaniline

2-chloro-4-propylaniline (PubChem CID 19914844) has the molecular formula C9H12ClN and a molecular weight of 169.65 g/mol. Its IUPAC name is 2-chloro-4-propylaniline.

Molecular Properties

Compound Name2-chloro-4-propylaniline
PubChem CID19914844
Molecular FormulaC9H12ClN
Molecular Weight169.65 g/mol
Exact Mass169.07
IUPAC Name2-chloro-4-propylaniline
SMILESCCCc1ccc(N)c(Cl)c1
InChIInChI=1S/C9H12ClN/c1-2-3-7-4-5-9(11)8(10)6-7/h4-6H,2-3,11H2,1H3
InChIKeyCXYVYKDWUDTQSZ-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-heptylaniline
CID 21161447
4-(2-aminoethyl)-2-chloroaniline
CID 18621974
2-(4-amino-3-chlorophenyl)ethanol
CID 54268347
2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline
CID 139888848
N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide
CID 154361232
2-amino-6-chloro-4-propylphenol
CID 175267569
3-(4-amino-3-chlorophenyl)propanamide;hydrochloride
CID 90202691
2-chloro-4-[(3-ethylpentan-3-ylamino)methyl]aniline
CID 65040911
2-chloro-1-(difluoromethyl)-4-propylbenzene
CID 139607010
2-chloro-4-propylbenzohydrazide
CID 138958414
2-(aminomethylsulfanyl)-4-propylaniline
CID 143324152
2-chloro-4-N-ethylbenzene-1,4-diamine
CID 68788899

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propylaniline?
The IUPAC name of 2-chloro-4-propylaniline (CID 19914844) is 2-chloro-4-propylaniline.
What is the SMILES notation for 2-chloro-4-propylaniline?
The canonical SMILES for 2-chloro-4-propylaniline is CCCc1ccc(N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-propylaniline?
The InChIKey is CXYVYKDWUDTQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-2-3-7-4-5-9(11)8(10)6-7/h4-6H,2-3,11H2,1H3.
What are the key properties of 2-chloro-4-propylaniline?
2-chloro-4-propylaniline has a molecular weight of 169.65 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propylaniline is sourced from PubChem (CID 19914844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).