1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine

C23H26ClN3 — CID 57274190

IUPAC1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine
SMILESCC(C)NC(Cc1ccccc1)CN(c1ccncc1)c1ccccc1Cl
InChIInChI=1S/C23H26ClN3/c1-18(2)26-20(16-19-8-4-3-5-9-19)17-27(21-12-14-25-15-13-21)23-11-7-6-10-22(23)24/h3-15,18,20,26H,16-17H2,1-2H3
InChIKeyYDADHGBKYRBPPY-UHFFFAOYSA-N
MW379.94 g/mol
LogP5.48
Rot. Bonds8

About 1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine

1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine (PubChem CID 57274190) has the molecular formula C23H26ClN3 and a molecular weight of 379.94 g/mol. Its IUPAC name is 1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine
PubChem CID57274190
Molecular FormulaC23H26ClN3
Molecular Weight379.94 g/mol
Exact Mass379.18
IUPAC Name1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine
SMILESCC(C)NC(Cc1ccccc1)CN(c1ccncc1)c1ccccc1Cl
InChIInChI=1S/C23H26ClN3/c1-18(2)26-20(16-19-8-4-3-5-9-19)17-27(21-12-14-25-15-13-21)23-11-7-6-10-22(23)24/h3-15,18,20,26H,16-17H2,1-2H3
InChIKeyYDADHGBKYRBPPY-UHFFFAOYSA-N
XLogP5.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.94
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine
CID 58598101
N-propan-2-yl-1-pyridin-4-ylhexan-2-amine
CID 79411774
(2-phenyl-1-pyridin-4-ylethyl)hydrazine
CID 105196343
(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 102613868
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
N-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine
CID 104716082
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81407650
4-[2-(2,3-dichlorophenyl)propyl]pyridine
CID 143835492
(4-phenyl-1-pyridin-4-ylbutan-2-yl)hydrazine
CID 105205766
1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553099

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine (CID 57274190) is 1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine is CC(C)NC(Cc1ccccc1)CN(c1ccncc1)c1ccccc1Cl.
What is the InChIKey of 1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine?
The InChIKey is YDADHGBKYRBPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3/c1-18(2)26-20(16-19-8-4-3-5-9-19)17-27(21-12-14-25-15-13-21)23-11-7-6-10-22(23)24/h3-15,18,20,26H,16-17H2,1-2H3.
What are the key properties of 1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine?
1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine has a molecular weight of 379.94 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine is sourced from PubChem (CID 57274190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).