4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine

C15H22BrClN2O — CID 107619534

IUPAC4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine
SMILESCCC1(C)CC(CN)(Nc2ccc(Br)c(Cl)c2)CCO1
InChIInChI=1S/C15H22BrClN2O/c1-3-14(2)9-15(10-18,6-7-20-14)19-11-4-5-12(16)13(17)8-11/h4-5,8,19H,3,6-7,9-10,18H2,1-2H3
InChIKeyIAWXFAJWIOLNHR-UHFFFAOYSA-N
MW361.71 g/mol
LogP4.19
Rot. Bonds4

About 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine

4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine (PubChem CID 107619534) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine
PubChem CID107619534
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine
SMILESCCC1(C)CC(CN)(Nc2ccc(Br)c(Cl)c2)CCO1
InChIInChI=1S/C15H22BrClN2O/c1-3-14(2)9-15(10-18,6-7-20-14)19-11-4-5-12(16)13(17)8-11/h4-5,8,19H,3,6-7,9-10,18H2,1-2H3
InChIKeyIAWXFAJWIOLNHR-UHFFFAOYSA-N
XLogP4.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine
CID 104721832
4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine
CID 65377702
4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine
CID 65385727
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyloxan-4-amine
CID 107619654
3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)thiolan-3-amine
CID 107619641
3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 107619476
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine
CID 107619601
N-[1-(aminomethyl)-2,4,4-trimethylcyclohexyl]-4-bromo-3-chloroaniline
CID 107619544
N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline
CID 104721710
N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine
CID 83010918
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine
CID 104721790
N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107620276

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine (CID 107619534) is 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine is CCC1(C)CC(CN)(Nc2ccc(Br)c(Cl)c2)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine?
The InChIKey is IAWXFAJWIOLNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2O/c1-3-14(2)9-15(10-18,6-7-20-14)19-11-4-5-12(16)13(17)8-11/h4-5,8,19H,3,6-7,9-10,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine?
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine has a molecular weight of 361.71 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine is sourced from PubChem (CID 107619534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).