(1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine

C22H21Cl2NO — CID 40761543

IUPAC(1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
SMILESC[C@H](NCc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H21Cl2NO/c1-16(17-7-3-2-4-8-17)25-14-19-13-20(23)11-12-22(19)26-15-18-9-5-6-10-21(18)24/h2-13,16,25H,14-15H2,1H3/t16-/m0/s1
InChIKeyYUJDMVRHMMRISA-INIZCTEOSA-N
MW386.32 g/mol
LogP6.42
Rot. Bonds7

About (1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine

(1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine (PubChem CID 40761543) has the molecular formula C22H21Cl2NO and a molecular weight of 386.32 g/mol. Its IUPAC name is (1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
PubChem CID40761543
Molecular FormulaC22H21Cl2NO
Molecular Weight386.32 g/mol
Exact Mass385.10
IUPAC Name(1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
SMILESC[C@H](NCc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H21Cl2NO/c1-16(17-7-3-2-4-8-17)25-14-19-13-20(23)11-12-22(19)26-15-18-9-5-6-10-21(18)24/h2-13,16,25H,14-15H2,1H3/t16-/m0/s1
InChIKeyYUJDMVRHMMRISA-INIZCTEOSA-N
XLogP6.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.32
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715547
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211228
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721823
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 4715514
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
(1S)-N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 40761545
(1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990873
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715702
1-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295476
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290924
1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17155854

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine (CID 40761543) is (1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine is C[C@H](NCc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of (1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
The InChIKey is YUJDMVRHMMRISA-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21Cl2NO/c1-16(17-7-3-2-4-8-17)25-14-19-13-20(23)11-12-22(19)26-15-18-9-5-6-10-21(18)24/h2-13,16,25H,14-15H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine?
(1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine has a molecular weight of 386.32 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 40761543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).