2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline

C17H28N2O — CID 81299543

IUPAC2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline
SMILESCOc1ccc(CN)c(N(C)C2CCC(C)(C)CC2)c1
InChIInChI=1S/C17H28N2O/c1-17(2)9-7-14(8-10-17)19(3)16-11-15(20-4)6-5-13(16)12-18/h5-6,11,14H,7-10,12,18H2,1-4H3
InChIKeyBWFSBSKDMQKWKW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.56
Rot. Bonds4

About 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline

2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline (PubChem CID 81299543) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline
PubChem CID81299543
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline
SMILESCOc1ccc(CN)c(N(C)C2CCC(C)(C)CC2)c1
InChIInChI=1S/C17H28N2O/c1-17(2)9-7-14(8-10-17)19(3)16-11-15(20-4)6-5-13(16)12-18/h5-6,11,14H,7-10,12,18H2,1-4H3
InChIKeyBWFSBSKDMQKWKW-UHFFFAOYSA-N
XLogP3.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-cyclohexyl-5-methoxy-N-methylaniline
CID 81298046
2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline
CID 81299533
4-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-2,3-difluoro-N-methylaniline
CID 107933009
5-chloro-2-(chloromethyl)-N-(4,4-dimethylcyclohexyl)-N-methylaniline
CID 114846780
2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81298982
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline
CID 81299175
2-(aminomethyl)-N-ethyl-5-methoxy-N-(3-methylphenyl)aniline
CID 81300212
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 81299898
2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline
CID 114340540
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 81299989
2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 81300114
2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide
CID 81298979

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline (CID 81299543) is 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline is COc1ccc(CN)c(N(C)C2CCC(C)(C)CC2)c1.
What is the InChIKey of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline?
The InChIKey is BWFSBSKDMQKWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2)9-7-14(8-10-17)19(3)16-11-15(20-4)6-5-13(16)12-18/h5-6,11,14H,7-10,12,18H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline?
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline has a molecular weight of 276.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline is sourced from PubChem (CID 81299543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).