N-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine

C16H25BrN2 — CID 380072

IUPAC2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine
SMILESCN(CCC1=CC=C(C=C1)Br)CCN2CCCCC2
InChIInChI=1S/C16H25BrN2/c1-18(13-14-19-10-3-2-4-11-19)12-9-15-5-7-16(17)8-6-15/h5-8H,2-4,9-14H2,1H3
InChIKeyDZSFHYLZMIQXKH-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.80
Rot. Bonds6

About N-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine

N-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine (PubChem CID 380072) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine.

Molecular Properties

Compound NameN-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine
PubChem CID380072
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine
SMILESCN(CCC1=CC=C(C=C1)Br)CCN2CCCCC2
InChIInChI=1S/C16H25BrN2/c1-18(13-14-19-10-3-2-4-11-19)12-9-15-5-7-16(17)8-6-15/h5-8H,2-4,9-14H2,1H3
InChIKeyDZSFHYLZMIQXKH-UHFFFAOYSA-N
XLogP3.80
TPSA6.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity233

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-bromophenylethylamine
CID 151465
1-Benzyl-4-[(4-bromophenyl)carbonothioyl]piperazine
CID 2185493
(S)-3-(3-Bromo-phenyl)-1-propyl-piperidine
CID 10356389
Piperidine, 4-((4-bromophenyl)phenylmethylene)-1-methyl-, hydrochloride
CID 3076342
1-[(2-Bromophenyl)methyl]-4-methylpiperazine
CID 763870
1-[(4-Bromophenyl)methyl]piperazine
CID 876494
(2-(4-Bromophenyl)ethyl)dimethylamine
CID 10751802
1-[(2-Bromophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 1529368
2-(4-bromophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine;hydrochloride
CID 118733539
1-[(4-Bromophenyl)carbonothioyl]-4-ethylpiperazine
CID 888529
(2-Bromobenzyl)[2-(diethylamino)ethyl]ethylamine
CID 2053516
(4-Bromobenzyl)[2-(diethylamino)ethyl]methylamine
CID 784059

Frequently Asked Questions

What is the IUPAC name of N-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine?
The IUPAC name of N-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine (CID 380072) is 2-(4-bromophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)ethanamine.
What is the SMILES notation for N-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine?
The canonical SMILES for N-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine is CN(CCC1=CC=C(C=C1)Br)CCN2CCCCC2.
What is the InChIKey of N-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine?
The InChIKey is DZSFHYLZMIQXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-18(13-14-19-10-3-2-4-11-19)12-9-15-5-7-16(17)8-6-15/h5-8H,2-4,9-14H2,1H3.
What are the key properties of N-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine?
N-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine has a molecular weight of 325.29 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-(4-bromophenyl)ethyl)-N-methyl-2-(1-piperidinyl)ethylamine is sourced from PubChem (CID 380072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).