2-chloro-4-(1-phenylpropoxy)aniline

C15H16ClNO — CID 89382790

IUPAC2-chloro-4-(1-phenylpropoxy)aniline
SMILESCCC(Oc1ccc(N)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H16ClNO/c1-2-15(11-6-4-3-5-7-11)18-12-8-9-14(17)13(16)10-12/h3-10,15H,2,17H2,1H3
InChIKeyHEUZMGBYZFDDMZ-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.45
Rot. Bonds4

About 2-chloro-4-(1-phenylpropoxy)aniline

2-chloro-4-(1-phenylpropoxy)aniline (PubChem CID 89382790) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-chloro-4-(1-phenylpropoxy)aniline.

Molecular Properties

Compound Name2-chloro-4-(1-phenylpropoxy)aniline
PubChem CID89382790
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-chloro-4-(1-phenylpropoxy)aniline
SMILESCCC(Oc1ccc(N)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H16ClNO/c1-2-15(11-6-4-3-5-7-11)18-12-8-9-14(17)13(16)10-12/h3-10,15H,2,17H2,1H3
InChIKeyHEUZMGBYZFDDMZ-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-chloro-4-(1-phenylpropoxy)phenyl]propanoic acid
CID 70628723
2-chloro-4-propan-2-yloxyaniline
CID 62113434
N-[2-(3,4-dichlorophenoxy)-2-phenylethyl]propan-1-amine
CID 63498262
2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine
CID 63497723
2-chloro-5-(1-phenylethoxy)aniline
CID 58022217
4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline
CID 67651993
2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine
CID 82726931
N-[2-(4-chloro-3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63490256
4-[3-[1-(1H-pyrrol-3-yl)propoxy]phenoxy]benzene-1,2-diamine
CID 21451667
2-chloro-4-naphthalen-2-yloxyaniline
CID 175197159
3-(1-phenoxypropyl)pyridine
CID 57251428
methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride
CID 175100899

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-phenylpropoxy)aniline?
The IUPAC name of 2-chloro-4-(1-phenylpropoxy)aniline (CID 89382790) is 2-chloro-4-(1-phenylpropoxy)aniline.
What is the SMILES notation for 2-chloro-4-(1-phenylpropoxy)aniline?
The canonical SMILES for 2-chloro-4-(1-phenylpropoxy)aniline is CCC(Oc1ccc(N)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-chloro-4-(1-phenylpropoxy)aniline?
The InChIKey is HEUZMGBYZFDDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-2-15(11-6-4-3-5-7-11)18-12-8-9-14(17)13(16)10-12/h3-10,15H,2,17H2,1H3.
What are the key properties of 2-chloro-4-(1-phenylpropoxy)aniline?
2-chloro-4-(1-phenylpropoxy)aniline has a molecular weight of 261.75 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-phenylpropoxy)aniline is sourced from PubChem (CID 89382790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).