N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine

C18H29NO — CID 106830052

IUPACN-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)C2(C)CCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-4-14-20-16-10-8-15(9-11-16)17(19-3)18(2)12-6-5-7-13-18/h8-11,17,19H,4-7,12-14H2,1-3H3
InChIKeyASFMYAHGTACUQE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.71
Rot. Bonds6

About N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine

N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine (PubChem CID 106830052) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine
PubChem CID106830052
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)C2(C)CCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-4-14-20-16-10-8-15(9-11-16)17(19-3)18(2)12-6-5-7-13-18/h8-11,17,19H,4-7,12-14H2,1-3H3
InChIKeyASFMYAHGTACUQE-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-propoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106827181
N-methyl-1-(1-methylcyclopentyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026977
1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 116764818
1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105022410
(2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine
CID 80684429
N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine
CID 79298179
1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106826825
1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958660
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine
CID 79861209
N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine
CID 115853346
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
2-bromo-4-[bromo-(1-methylcyclohexyl)methyl]-1-propoxybenzene
CID 106828645

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine (CID 106830052) is N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(NC)C2(C)CCCCC2)cc1.
What is the InChIKey of N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine?
The InChIKey is ASFMYAHGTACUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-14-20-16-10-8-15(9-11-16)17(19-3)18(2)12-6-5-7-13-18/h8-11,17,19H,4-7,12-14H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine?
N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylcyclohexyl)-1-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 106830052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).