N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline

C15H23NO — CID 177482004

IUPACN-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline
SMILES[2H]C(C1CCCCC1)N(C)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO/c1-16(12-13-6-4-3-5-7-13)14-8-10-15(17-2)11-9-14/h8-11,13H,3-7,12H2,1-2H3/i12D
InChIKeyAUYIRVVYTCWNKZ-UQBWLURTSA-N
MW234.36 g/mol
LogP3.71
Rot. Bonds4

About N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline

N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline (PubChem CID 177482004) has the molecular formula C15H23NO and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline
PubChem CID177482004
Molecular FormulaC15H23NO
Molecular Weight234.36 g/mol
Exact Mass234.18
IUPAC NameN-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline
SMILES[2H]C(C1CCCCC1)N(C)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO/c1-16(12-13-6-4-3-5-7-13)14-8-10-15(17-2)11-9-14/h8-11,13H,3-7,12H2,1-2H3/i12D
InChIKeyAUYIRVVYTCWNKZ-UQBWLURTSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 104745754
N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline
CID 154621342
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 12923050
4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 43275525
2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 61446447
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline
CID 62261141
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538
1-[1-(cyclohexylmethoxy)-2-iodoethyl]-4-methoxybenzene
CID 114773998
1,1-dideuterio-1-(4-methoxyphenyl)-N,N-dimethylmethanamine
CID 122215032
N-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 138348366
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline?
The IUPAC name of N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline (CID 177482004) is N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline.
What is the SMILES notation for N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline?
The canonical SMILES for N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline is [2H]C(C1CCCCC1)N(C)c1ccc(OC)cc1.
What is the InChIKey of N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline?
The InChIKey is AUYIRVVYTCWNKZ-UQBWLURTSA-N. The full InChI is InChI=1S/C15H23NO/c1-16(12-13-6-4-3-5-7-13)14-8-10-15(17-2)11-9-14/h8-11,13H,3-7,12H2,1-2H3/i12D.
What are the key properties of N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline?
N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline has a molecular weight of 234.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(deuterio)methyl]-4-methoxy-N-methylaniline is sourced from PubChem (CID 177482004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).