5-chloro-2-methoxy-N-(2-phenylpropyl)aniline

C16H18ClNO — CID 43105776

IUPAC5-chloro-2-methoxy-N-(2-phenylpropyl)aniline
SMILESCOc1ccc(Cl)cc1NCC(C)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-12(13-6-4-3-5-7-13)11-18-15-10-14(17)8-9-16(15)19-2/h3-10,12,18H,11H2,1-2H3
InChIKeyUFNGJWHCZCXRFM-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.56
Rot. Bonds5

About 5-chloro-2-methoxy-N-(2-phenylpropyl)aniline

5-chloro-2-methoxy-N-(2-phenylpropyl)aniline (PubChem CID 43105776) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-phenylpropyl)aniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-phenylpropyl)aniline
PubChem CID43105776
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name5-chloro-2-methoxy-N-(2-phenylpropyl)aniline
SMILESCOc1ccc(Cl)cc1NCC(C)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-12(13-6-4-3-5-7-13)11-18-15-10-14(17)8-9-16(15)19-2/h3-10,12,18H,11H2,1-2H3
InChIKeyUFNGJWHCZCXRFM-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methyl-N-(2-phenylpropyl)aniline
CID 43103911
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine
CID 60695260
5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
CID 29289314
methyl 5-chloro-2-(2-phenylpropylamino)benzoate
CID 43678738
4-chloro-2-(2-phenylpropylamino)benzenecarbothioamide
CID 104591576
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502
1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989140
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
5-chloro-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39438809
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 7509869

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-phenylpropyl)aniline?
The IUPAC name of 5-chloro-2-methoxy-N-(2-phenylpropyl)aniline (CID 43105776) is 5-chloro-2-methoxy-N-(2-phenylpropyl)aniline.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-phenylpropyl)aniline?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-phenylpropyl)aniline is COc1ccc(Cl)cc1NCC(C)c1ccccc1.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-phenylpropyl)aniline?
The InChIKey is UFNGJWHCZCXRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(13-6-4-3-5-7-13)11-18-15-10-14(17)8-9-16(15)19-2/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-(2-phenylpropyl)aniline?
5-chloro-2-methoxy-N-(2-phenylpropyl)aniline has a molecular weight of 275.78 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-phenylpropyl)aniline is sourced from PubChem (CID 43105776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).