4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine

C14H22ClNO — CID 79698312

IUPAC4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H22ClNO/c1-4-9-16-11(2)5-6-12-7-8-13(15)14(10-12)17-3/h7-8,10-11,16H,4-6,9H2,1-3H3
InChIKeyVWQNIFRPKCERLX-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.67
Rot. Bonds7

About 4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine

4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine (PubChem CID 79698312) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine
PubChem CID79698312
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H22ClNO/c1-4-9-16-11(2)5-6-12-7-8-13(15)14(10-12)17-3/h7-8,10-11,16H,4-6,9H2,1-3H3
InChIKeyVWQNIFRPKCERLX-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine
CID 79700435
1-chloro-4-(3-chloro-4-methylpentyl)-2-methoxybenzene
CID 79697795
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
1-(4-chloro-3-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 79700883
N-[1-[4-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699320
1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
CID 79698062
N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 79698032
4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol
CID 119122214
2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol
CID 10806259
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 17211263
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211280
N-[1-[3-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699561

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine?
The IUPAC name of 4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine (CID 79698312) is 4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine is CCCNC(C)CCc1ccc(Cl)c(OC)c1.
What is the InChIKey of 4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine?
The InChIKey is VWQNIFRPKCERLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-9-16-11(2)5-6-12-7-8-13(15)14(10-12)17-3/h7-8,10-11,16H,4-6,9H2,1-3H3.
What are the key properties of 4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine?
4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine is sourced from PubChem (CID 79698312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).