N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine

C15H23ClN2 — CID 105153760

IUPACN-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccncc1Cl)C1CCC(C)CC1
InChIInChI=1S/C15H23ClN2/c1-3-18-15(12-6-4-11(2)5-7-12)13-8-9-17-10-14(13)16/h8-12,15,18H,3-7H2,1-2H3
InChIKeyDVOBYLFJRUPKMU-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.21
Rot. Bonds4

About N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine

N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 105153760) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine
PubChem CID105153760
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccncc1Cl)C1CCC(C)CC1
InChIInChI=1S/C15H23ClN2/c1-3-18-15(12-6-4-11(2)5-7-12)13-8-9-17-10-14(13)16/h8-12,15,18H,3-7H2,1-2H3
InChIKeyDVOBYLFJRUPKMU-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine
CID 105157249
N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105164741
N-[(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 105166315
N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine
CID 65413779
N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine
CID 66272084
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63415395
N-[(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 107513270
N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine
CID 104988207
N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine
CID 64775461
N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 113447257
N-[(3-chloro-4-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
CID 105166117

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine (CID 105153760) is N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine is CCNC(c1ccncc1Cl)C1CCC(C)CC1.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is DVOBYLFJRUPKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-18-15(12-6-4-11(2)5-7-12)13-8-9-17-10-14(13)16/h8-12,15,18H,3-7H2,1-2H3.
What are the key properties of N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine?
N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 266.82 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 105153760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).