N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine

C19H29NO — CID 114519344

IUPACN-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC2CC2)cc1)C1CCCC(C)C1
InChIInChI=1S/C19H29NO/c1-3-20-19(16-6-4-5-14(2)13-16)15-7-9-17(10-8-15)21-18-11-12-18/h7-10,14,16,18-20H,3-6,11-13H2,1-2H3
InChIKeyBXVYDGGCQBNIMK-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.70
Rot. Bonds6

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

N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 114519344) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
PubChem CID114519344
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC2CC2)cc1)C1CCCC(C)C1
InChIInChI=1S/C19H29NO/c1-3-20-19(16-6-4-5-14(2)13-16)15-7-9-17(10-8-15)21-18-11-12-18/h7-10,14,16,18-20H,3-6,11-13H2,1-2H3
InChIKeyBXVYDGGCQBNIMK-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine
CID 104992083
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 116506045
N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine
CID 105188447
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191360
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157
N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63508835
N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544173

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine (CID 114519344) is N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(OC2CC2)cc1)C1CCCC(C)C1.
What is the InChIKey of N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is BXVYDGGCQBNIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-20-19(16-6-4-5-14(2)13-16)15-7-9-17(10-8-15)21-18-11-12-18/h7-10,14,16,18-20H,3-6,11-13H2,1-2H3.
What are the key properties of N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 114519344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).