N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine

C17H26ClNO — CID 116763409

IUPACN-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)C1(OC)CCCCC1
InChIInChI=1S/C17H26ClNO/c1-3-13-19-16(14-9-5-6-10-15(14)18)17(20-2)11-7-4-8-12-17/h5-6,9-10,16,19H,3-4,7-8,11-13H2,1-2H3
InChIKeyKEUYJUCZGUYPDC-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.73
Rot. Bonds6

About N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine

N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine (PubChem CID 116763409) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
PubChem CID116763409
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)C1(OC)CCCCC1
InChIInChI=1S/C17H26ClNO/c1-3-13-19-16(14-9-5-6-10-15(14)18)17(20-2)11-7-4-8-12-17/h5-6,9-10,16,19H,3-4,7-8,11-13H2,1-2H3
InChIKeyKEUYJUCZGUYPDC-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 104611341
N-[2-(2-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763369
N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714897
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine
CID 116763449
N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116763483
(2-chlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610373
N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116770493
N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714786
N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763465
N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
CID 116763351
N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689357

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine (CID 116763409) is N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine is CCCNC(c1ccccc1Cl)C1(OC)CCCCC1.
What is the InChIKey of N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine?
The InChIKey is KEUYJUCZGUYPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-13-19-16(14-9-5-6-10-15(14)18)17(20-2)11-7-4-8-12-17/h5-6,9-10,16,19H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine?
N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 116763409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).