(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine

C14H21BrN2O — CID 81381423

IUPAC(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESC[C@H](NCC1CN(C)CCO1)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-11(12-4-3-5-13(15)8-12)16-9-14-10-17(2)6-7-18-14/h3-5,8,11,14,16H,6-7,9-10H2,1-2H3/t11-,14?/m0/s1
InChIKeyYBZFUXJCOJLHOY-ZSOXZCCMSA-N
MW313.24 g/mol
LogP2.43
Rot. Bonds4

About (1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine

(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine (PubChem CID 81381423) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is (1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
PubChem CID81381423
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESC[C@H](NCC1CN(C)CCO1)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-11(12-4-3-5-13(15)8-12)16-9-14-10-17(2)6-7-18-14/h3-5,8,11,14,16H,6-7,9-10H2,1-2H3/t11-,14?/m0/s1
InChIKeyYBZFUXJCOJLHOY-ZSOXZCCMSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol
CID 79083417
(1R)-1-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81359066
N-[(4-methylmorpholin-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 79079935
1-(3,4-dichlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78960515
(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383986
(1R)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383657
1-(3-bromophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54949073
1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 83069145
(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327850
(1R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327851
1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79082017
1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 103901638

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine (CID 81381423) is (1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine is C[C@H](NCC1CN(C)CCO1)c1cccc(Br)c1.
What is the InChIKey of (1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is YBZFUXJCOJLHOY-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11(12-4-3-5-13(15)8-12)16-9-14-10-17(2)6-7-18-14/h3-5,8,11,14,16H,6-7,9-10H2,1-2H3/t11-,14?/m0/s1.
What are the key properties of (1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 313.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 81381423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).