(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine

C14H21BrN2 — CID 81383485

IUPAC(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESC[C@H](NCC1CCNCC1)c1ccccc1Br
InChIInChI=1S/C14H21BrN2/c1-11(13-4-2-3-5-14(13)15)17-10-12-6-8-16-9-7-12/h2-5,11-12,16-17H,6-10H2,1H3/t11-/m0/s1
InChIKeyQQGKQDVSZMCLHY-NSHDSACASA-N
MW297.24 g/mol
LogP3.10
Rot. Bonds4

About (1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine

(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 81383485) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is (1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID81383485
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESC[C@H](NCC1CCNCC1)c1ccccc1Br
InChIInChI=1S/C14H21BrN2/c1-11(13-4-2-3-5-14(13)15)17-10-12-6-8-16-9-7-12/h2-5,11-12,16-17H,6-10H2,1H3/t11-/m0/s1
InChIKeyQQGKQDVSZMCLHY-NSHDSACASA-N
XLogP3.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377
1-(2-bromophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625440
4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 114146962
(1S)-1-(2-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132284
1-(2-bromophenyl)-N-(thian-3-ylmethyl)ethanamine
CID 114282776
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 113234990
N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43701759
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715077

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine (CID 81383485) is (1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine is C[C@H](NCC1CCNCC1)c1ccccc1Br.
What is the InChIKey of (1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is QQGKQDVSZMCLHY-NSHDSACASA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11(13-4-2-3-5-14(13)15)17-10-12-6-8-16-9-7-12/h2-5,11-12,16-17H,6-10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 297.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 81383485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).