2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine

C15H22Cl2N2 — CID 55248238

IUPAC2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H22Cl2N2/c1-11-3-2-7-19(8-6-11)15(10-18)12-4-5-13(16)14(17)9-12/h4-5,9,11,15H,2-3,6-8,10,18H2,1H3
InChIKeyQXZDXVRBYAGZPG-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.12
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine

2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine (PubChem CID 55248238) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
PubChem CID55248238
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H22Cl2N2/c1-11-3-2-7-19(8-6-11)15(10-18)12-4-5-13(16)14(17)9-12/h4-5,9,11,15H,2-3,6-8,10,18H2,1H3
InChIKeyQXZDXVRBYAGZPG-UHFFFAOYSA-N
XLogP4.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(3,4-dichlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43105682
2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881976
2-(7-chloro-1,3-benzodioxol-5-yl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622574
2-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 106817440
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 61441053
2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 63624247
2-(3,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
CID 62330318
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187
2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79166030
2-(3-chloro-4-methylphenyl)-2-piperidin-1-ylethanamine
CID 106817233

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine (CID 55248238) is 2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine is CC1CCCN(C(CN)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine?
The InChIKey is QXZDXVRBYAGZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-11-3-2-7-19(8-6-11)15(10-18)12-4-5-13(16)14(17)9-12/h4-5,9,11,15H,2-3,6-8,10,18H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine?
2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine has a molecular weight of 301.26 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine is sourced from PubChem (CID 55248238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).