[3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine

C18H28ClNO — CID 102663486

IUPAC[3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
SMILESCC1CCC(C(C)C)C(OCc2ccc(CN)cc2Cl)C1
InChIInChI=1S/C18H28ClNO/c1-12(2)16-7-4-13(3)8-18(16)21-11-15-6-5-14(10-20)9-17(15)19/h5-6,9,12-13,16,18H,4,7-8,10-11,20H2,1-3H3
InChIKeyJGGNYFPEONBLEC-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.78
Rot. Bonds5

About [3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine

[3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine (PubChem CID 102663486) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is [3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
PubChem CID102663486
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name[3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
SMILESCC1CCC(C(C)C)C(OCc2ccc(CN)cc2Cl)C1
InChIInChI=1S/C18H28ClNO/c1-12(2)16-7-4-13(3)8-18(16)21-11-15-6-5-14(10-20)9-17(15)19/h5-6,9,12-13,16,18H,4,7-8,10-11,20H2,1-3H3
InChIKeyJGGNYFPEONBLEC-UHFFFAOYSA-N
XLogP4.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine with MolForge

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Related Compounds

[3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 114479302
[4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43104736
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43101222
2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 105349458
2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine
CID 55195389
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-yl]methanamine
CID 62445744
2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene
CID 63458044
[5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine
CID 63458733
[5-chloro-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-2-pyridinyl]hydrazine
CID 63483505
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4-nitrobenzene
CID 10661260
[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 25361503
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine (CID 102663486) is [3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine is CC1CCC(C(C)C)C(OCc2ccc(CN)cc2Cl)C1.
What is the InChIKey of [3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
The InChIKey is JGGNYFPEONBLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-12(2)16-7-4-13(3)8-18(16)21-11-15-6-5-14(10-20)9-17(15)19/h5-6,9,12-13,16,18H,4,7-8,10-11,20H2,1-3H3.
What are the key properties of [3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
[3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine has a molecular weight of 309.88 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 102663486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).