4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline

C16H25BrN2 — CID 107274794

IUPAC4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline
SMILESCCC1CCC(N(C)c2ccc(CN)c(Br)c2)CC1
InChIInChI=1S/C16H25BrN2/c1-3-12-4-7-14(8-5-12)19(2)15-9-6-13(11-18)16(17)10-15/h6,9-10,12,14H,3-5,7-8,11,18H2,1-2H3
InChIKeyVNIJXFIUGHJEHH-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.31
Rot. Bonds4

About 4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline

4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline (PubChem CID 107274794) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline
PubChem CID107274794
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline
SMILESCCC1CCC(N(C)c2ccc(CN)c(Br)c2)CC1
InChIInChI=1S/C16H25BrN2/c1-3-12-4-7-14(8-5-12)19(2)15-9-6-13(11-18)16(17)10-15/h6,9-10,12,14H,3-5,7-8,11,18H2,1-2H3
InChIKeyVNIJXFIUGHJEHH-UHFFFAOYSA-N
XLogP4.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine
CID 55125544
4-(aminomethyl)-3-bromo-N,N-diethylaniline
CID 107274646
5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 107081552
3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
CID 54947942
2-amino-4-[(4-ethylcyclohexyl)-methylamino]benzoic acid
CID 104500356
4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83004693
4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 55222350
4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 107274835
2-[4-(aminomethyl)-3-bromo-N-methylanilino]ethanol
CID 107274749
2-chloro-4-[(4-ethylcyclohexyl)-methylamino]benzaldehyde
CID 114064082
3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one
CID 61449124
4-[(4-aminocyclohexyl)-methylamino]-2-bromobenzonitrile
CID 107280809

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline (CID 107274794) is 4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline is CCC1CCC(N(C)c2ccc(CN)c(Br)c2)CC1.
What is the InChIKey of 4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline?
The InChIKey is VNIJXFIUGHJEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-12-4-7-14(8-5-12)19(2)15-9-6-13(11-18)16(17)10-15/h6,9-10,12,14H,3-5,7-8,11,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline?
4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline has a molecular weight of 325.29 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline is sourced from PubChem (CID 107274794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).