N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline

C17H28N2O — CID 106872410

IUPACN-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline
SMILESCCN(c1ccc(C)cc1)C1(CN)CCCC(OC)C1
InChIInChI=1S/C17H28N2O/c1-4-19(15-9-7-14(2)8-10-15)17(13-18)11-5-6-16(12-17)20-3/h7-10,16H,4-6,11-13,18H2,1-3H3
InChIKeyOSUFLUANQULWQP-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.11
Rot. Bonds5

About N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline

N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline (PubChem CID 106872410) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline
PubChem CID106872410
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline
SMILESCCN(c1ccc(C)cc1)C1(CN)CCCC(OC)C1
InChIInChI=1S/C17H28N2O/c1-4-19(15-9-7-14(2)8-10-15)17(13-18)11-5-6-16(12-17)20-3/h7-10,16H,4-6,11-13,18H2,1-3H3
InChIKeyOSUFLUANQULWQP-UHFFFAOYSA-N
XLogP3.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-3-methoxycyclohexyl]-4-methoxy-N-methylaniline
CID 106872402
N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 106872798
1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 106872249
1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine
CID 106872186
1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 63487026
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline
CID 64762938
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-4-methylaniline
CID 65044946
1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine
CID 65088557
1-(aminomethyl)-3-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 106872349
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448937
N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline
CID 106661084
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline
CID 63470782

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline (CID 106872410) is N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline is CCN(c1ccc(C)cc1)C1(CN)CCCC(OC)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline?
The InChIKey is OSUFLUANQULWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19(15-9-7-14(2)8-10-15)17(13-18)11-5-6-16(12-17)20-3/h7-10,16H,4-6,11-13,18H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline?
N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline has a molecular weight of 276.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methoxycyclohexyl]-N-ethyl-4-methylaniline is sourced from PubChem (CID 106872410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).