N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine

C18H28ClNO — CID 63413486

IUPACN-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1OC)C1CCCCC1
InChIInChI=1S/C18H28ClNO/c1-3-11-20-17(14-7-5-4-6-8-14)13-15-12-16(19)9-10-18(15)21-2/h9-10,12,14,17,20H,3-8,11,13H2,1-2H3
InChIKeyVFXPWLWCBBVINK-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.84
Rot. Bonds7

About N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine

N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine (PubChem CID 63413486) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
PubChem CID63413486
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1OC)C1CCCCC1
InChIInChI=1S/C18H28ClNO/c1-3-11-20-17(14-7-5-4-6-8-14)13-15-12-16(19)9-10-18(15)21-2/h9-10,12,14,17,20H,3-8,11,13H2,1-2H3
InChIKeyVFXPWLWCBBVINK-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-2-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105137354
N-[2-(5-chloro-2-methoxyphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80627450
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134
N-[2-(5-chloro-2-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65421949
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 63415780
N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981230
N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
CID 104749569
3-(5-chloro-2-methoxyphenyl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79492881
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853
N-[2-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714785
N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 65333922

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine (CID 63413486) is N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine is CCCNC(Cc1cc(Cl)ccc1OC)C1CCCCC1.
What is the InChIKey of N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine?
The InChIKey is VFXPWLWCBBVINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-3-11-20-17(14-7-5-4-6-8-14)13-15-12-16(19)9-10-18(15)21-2/h9-10,12,14,17,20H,3-8,11,13H2,1-2H3.
What are the key properties of N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine?
N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine is sourced from PubChem (CID 63413486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).