1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine

C16H26ClNO — CID 63400119

IUPAC1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
SMILESCCCNC(CCc1cc(Cl)ccc1OC)C(C)C
InChIInChI=1S/C16H26ClNO/c1-5-10-18-15(12(2)3)8-6-13-11-14(17)7-9-16(13)19-4/h7,9,11-12,15,18H,5-6,8,10H2,1-4H3
InChIKeyPUGPCNKBOIQJQK-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.31
Rot. Bonds8

About 1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine

1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine (PubChem CID 63400119) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
PubChem CID63400119
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
SMILESCCCNC(CCc1cc(Cl)ccc1OC)C(C)C
InChIInChI=1S/C16H26ClNO/c1-5-10-18-15(12(2)3)8-6-13-11-14(17)7-9-16(13)19-4/h7,9,11-12,15,18H,5-6,8,10H2,1-4H3
InChIKeyPUGPCNKBOIQJQK-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79492881
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 54955057
4-chloro-2-(3-chlorohexyl)-1-methoxybenzene
CID 63460736
1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 82811862
4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112519015
1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 79245397
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 82782609
5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104544669
1-N-[2-(5-chloro-2-methoxyphenyl)ethyl]butane-1,3-diamine
CID 115199496
5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine
CID 64503076
N-[2-(5-chloro-2-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65421949

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine (CID 63400119) is 1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine is CCCNC(CCc1cc(Cl)ccc1OC)C(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine?
The InChIKey is PUGPCNKBOIQJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-10-18-15(12(2)3)8-6-13-11-14(17)7-9-16(13)19-4/h7,9,11-12,15,18H,5-6,8,10H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine?
1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine has a molecular weight of 283.84 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine is sourced from PubChem (CID 63400119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).