(S)-N-phenyl-4-((2-phenylmorpholino)methyl)aniline

C23H24N2O — CID 44573464

IUPACN-phenyl-4-[[(2S)-2-phenylmorpholin-4-yl]methyl]aniline
SMILESC1CO[C@H](CN1CC2=CC=C(C=C2)NC3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C23H24N2O/c1-3-7-20(8-4-1)23-18-25(15-16-26-23)17-19-11-13-22(14-12-19)24-21-9-5-2-6-10-21/h1-14,23-24H,15-18H2/t23-/m1/s1
InChIKeyQATGZSQRGVRBGH-HSZRJFAPSA-N
MW344.40 g/mol
LogP4.50
Rot. Bonds5

About (S)-N-phenyl-4-((2-phenylmorpholino)methyl)aniline

(S)-N-phenyl-4-((2-phenylmorpholino)methyl)aniline (PubChem CID 44573464) has the molecular formula C23H24N2O and a molecular weight of 344.40 g/mol. Its IUPAC name is N-phenyl-4-[[(2S)-2-phenylmorpholin-4-yl]methyl]aniline.

Molecular Properties

Compound Name(S)-N-phenyl-4-((2-phenylmorpholino)methyl)aniline
PubChem CID44573464
Molecular FormulaC23H24N2O
Molecular Weight344.40 g/mol
Exact Mass344.19
IUPAC NameN-phenyl-4-[[(2S)-2-phenylmorpholin-4-yl]methyl]aniline
SMILESC1CO[C@H](CN1CC2=CC=C(C=C2)NC3=CC=CC=C3)C4=CC=CC=C4
InChIInChI=1S/C23H24N2O/c1-3-7-20(8-4-1)23-18-25(15-16-26-23)17-19-11-13-22(14-12-19)24-21-9-5-2-6-10-21/h1-14,23-24H,15-18H2/t23-/m1/s1
InChIKeyQATGZSQRGVRBGH-HSZRJFAPSA-N
XLogP4.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity395

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(Diphenylmethoxy)ethyl)-4-(2-(4-azido-3-iodophenyl)ethyl)piperazine
CID 21121222
4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-phenylamine
CID 10501178
cis-(6-Benzhydryl-tetrahydropyran-3-yl)-(4-amino-benzyl)-amine
CID 11510954
cis-(3R,6R)-(6-benzhydryl-tetrahydropyran-3-yl)-(4-aminobenzyl)amine
CID 11538007
2-[2-[4-[(2-Hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol
CID 22986860
N-[4-[(2S)-morpholin-2-yl]phenyl]naphthalen-2-amine
CID 68325402
N-(4-chlorophenyl)-4-morpholin-2-ylaniline
CID 68325743
4-[(2R)-morpholin-2-yl]-N-[4-(pentafluoro-lambda6-sulfanyl)phenyl]aniline
CID 86766843
Morpholine, 4-(p-anilinobenzyl)-
CID 100777
N-[(2S)-3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-yl]aniline
CID 44346693
N,N-dimethyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]aniline
CID 122182824
1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine
CID 164616454

Frequently Asked Questions

What is the IUPAC name of (S)-N-phenyl-4-((2-phenylmorpholino)methyl)aniline?
The IUPAC name of (S)-N-phenyl-4-((2-phenylmorpholino)methyl)aniline (CID 44573464) is N-phenyl-4-[[(2S)-2-phenylmorpholin-4-yl]methyl]aniline.
What is the SMILES notation for (S)-N-phenyl-4-((2-phenylmorpholino)methyl)aniline?
The canonical SMILES for (S)-N-phenyl-4-((2-phenylmorpholino)methyl)aniline is C1CO[C@H](CN1CC2=CC=C(C=C2)NC3=CC=CC=C3)C4=CC=CC=C4.
What is the InChIKey of (S)-N-phenyl-4-((2-phenylmorpholino)methyl)aniline?
The InChIKey is QATGZSQRGVRBGH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24N2O/c1-3-7-20(8-4-1)23-18-25(15-16-26-23)17-19-11-13-22(14-12-19)24-21-9-5-2-6-10-21/h1-14,23-24H,15-18H2/t23-/m1/s1.
What are the key properties of (S)-N-phenyl-4-((2-phenylmorpholino)methyl)aniline?
(S)-N-phenyl-4-((2-phenylmorpholino)methyl)aniline has a molecular weight of 344.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-phenyl-4-((2-phenylmorpholino)methyl)aniline is sourced from PubChem (CID 44573464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).