1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

C16H26ClNO — CID 103031576

IUPAC1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO/c1-5-12-18-15(10-11-16(2,3)19-4)13-8-6-7-9-14(13)17/h6-9,15,18H,5,10-12H2,1-4H3
InChIKeyJRTFJCJLTARFGX-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.59
Rot. Bonds8

About 1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (PubChem CID 103031576) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
PubChem CID103031576
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1ccccc1Cl
InChIInChI=1S/C16H26ClNO/c1-5-12-18-15(10-11-16(2,3)19-4)13-8-6-7-9-14(13)17/h6-9,15,18H,5,10-12H2,1-4H3
InChIKeyJRTFJCJLTARFGX-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine
CID 103031708
1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 107969419
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710
1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
CID 63655900
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 103031413
1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79196771
4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106792507
1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
1-(2-chlorophenyl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103149984
1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031354
2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol
CID 103018095

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (CID 103031576) is 1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The InChIKey is JRTFJCJLTARFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-12-18-15(10-11-16(2,3)19-4)13-8-6-7-9-14(13)17/h6-9,15,18H,5,10-12H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103031576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).