(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine

C14H20BrNO — CID 81354216

IUPAC(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine
SMILESC[C@@H](NCC1CCCOC1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-11(13-4-6-14(15)7-5-13)16-9-12-3-2-8-17-10-12/h4-7,11-12,16H,2-3,8-10H2,1H3/t11-,12?/m1/s1
InChIKeyPZKZXURGUNABKM-JHJMLUEUSA-N
MW298.22 g/mol
LogP3.53
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine

(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine (PubChem CID 81354216) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine
PubChem CID81354216
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine
SMILESC[C@@H](NCC1CCCOC1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-11(13-4-6-14(15)7-5-13)16-9-12-3-2-8-17-10-12/h4-7,11-12,16H,2-3,8-10H2,1H3/t11-,12?/m1/s1
InChIKeyPZKZXURGUNABKM-JHJMLUEUSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
(1S)-1-(4-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81359380
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 54906872
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
(1S)-1-(2-chlorophenyl)-N-[[(3R)-oxan-3-yl]methyl]ethanamine
CID 93447506
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 54931937
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 54906398
1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738232

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine (CID 81354216) is (1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine is C[C@@H](NCC1CCCOC1)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine?
The InChIKey is PZKZXURGUNABKM-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11(13-4-6-14(15)7-5-13)16-9-12-3-2-8-17-10-12/h4-7,11-12,16H,2-3,8-10H2,1H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine?
(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine is sourced from PubChem (CID 81354216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).