1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine

C16H26ClNO — CID 105085865

IUPAC1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)OC)Cc1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-4-10-18-16(9-8-13(2)19-3)12-14-6-5-7-15(17)11-14/h5-7,11,13,16,18H,4,8-10,12H2,1-3H3
InChIKeyGURXXPNOCNSUGD-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.07
Rot. Bonds9

About 1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine

1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine (PubChem CID 105085865) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine
PubChem CID105085865
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)OC)Cc1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-4-10-18-16(9-8-13(2)19-3)12-14-6-5-7-15(17)11-14/h5-7,11,13,16,18H,4,8-10,12H2,1-3H3
InChIKeyGURXXPNOCNSUGD-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-6-methyl-N-propylheptan-2-amine
CID 83162303
1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 55187933
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine
CID 55247955
1-(3-chlorophenyl)-5-methoxyhexan-2-ol
CID 105076733
1-butan-2-ylsulfanyl-3-(3-chlorophenyl)-N-propylpropan-2-amine
CID 65136450
1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546384
4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine
CID 105188062
1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66046965
1-(3-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 60817944
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine (CID 105085865) is 1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine is CCCNC(CCC(C)OC)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine?
The InChIKey is GURXXPNOCNSUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-4-10-18-16(9-8-13(2)19-3)12-14-6-5-7-15(17)11-14/h5-7,11,13,16,18H,4,8-10,12H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine?
1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine has a molecular weight of 283.84 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine is sourced from PubChem (CID 105085865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).