N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline

C16H26N2O — CID 62261141

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)CC2(CN)CCCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-18(14-6-8-15(19-2)9-7-14)13-16(12-17)10-4-3-5-11-16/h6-9H,3-5,10-13,17H2,1-2H3
InChIKeyLBNLGQNSQSNEKZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.04
Rot. Bonds5

About N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline

N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline (PubChem CID 62261141) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline
PubChem CID62261141
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)CC2(CN)CCCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-18(14-6-8-15(19-2)9-7-14)13-16(12-17)10-4-3-5-11-16/h6-9H,3-5,10-13,17H2,1-2H3
InChIKeyLBNLGQNSQSNEKZ-UHFFFAOYSA-N
XLogP3.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline
CID 55056003
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
CID 62259755
[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol
CID 115246801
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylnaphthalen-2-amine
CID 115245752
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,6-dimethylnaphthalen-2-amine
CID 115245749
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylaniline
CID 115448798
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline
CID 84778072
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 115245958
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoro-4-methoxy-N-methylaniline
CID 115243951
[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanamine
CID 94686563
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115245672
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline
CID 115243941

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline (CID 62261141) is N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline is COc1ccc(N(C)CC2(CN)CCCCC2)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline?
The InChIKey is LBNLGQNSQSNEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(14-6-8-15(19-2)9-7-14)13-16(12-17)10-4-3-5-11-16/h6-9H,3-5,10-13,17H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline?
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline has a molecular weight of 262.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline is sourced from PubChem (CID 62261141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).