1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine

C16H24ClNO — CID 104995108

IUPAC1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine
SMILESCCCNC(CCC1CC1)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H24ClNO/c1-3-10-18-15(8-6-12-4-5-12)14-11-13(17)7-9-16(14)19-2/h7,9,11-12,15,18H,3-6,8,10H2,1-2H3
InChIKeySODPAVPPVSZCJG-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.58
Rot. Bonds8

About 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine

1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine (PubChem CID 104995108) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine
PubChem CID104995108
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine
SMILESCCCNC(CCC1CC1)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H24ClNO/c1-3-10-18-15(8-6-12-4-5-12)14-11-13(17)7-9-16(14)19-2/h7,9,11-12,15,18H,3-6,8,10H2,1-2H3
InChIKeySODPAVPPVSZCJG-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine
CID 104995107
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62789352
1-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104546060
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 106200526
N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135548
1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine
CID 104546055
1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115850153
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105140924
1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 79053738
1-(5-chloro-2-methoxyphenyl)-N-propylprop-2-en-1-amine
CID 105000957
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234667

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine (CID 104995108) is 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine is CCCNC(CCC1CC1)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine?
The InChIKey is SODPAVPPVSZCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-10-18-15(8-6-12-4-5-12)14-11-13(17)7-9-16(14)19-2/h7,9,11-12,15,18H,3-6,8,10H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine?
1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.58, 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)-3-cyclopropyl-N-propylpropan-1-amine is sourced from PubChem (CID 104995108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).