(3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine

C23H33N — CID 70989552

IUPAC(3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
SMILESCc1ccc(C)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1
InChIInChI=1S/C23H33N/c1-17(2)24(18(3)4)15-14-22(21-10-8-7-9-11-21)23-16-19(5)12-13-20(23)6/h7-13,16-18,22H,14-15H2,1-6H3/t22-/m1/s1
InChIKeyLLPKTPSPWVSJJP-JOCHJYFZSA-N
MW323.52 g/mol
LogP5.94
Rot. Bonds7

About (3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine

(3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 70989552) has the molecular formula C23H33N and a molecular weight of 323.52 g/mol. Its IUPAC name is (3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name(3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
PubChem CID70989552
Molecular FormulaC23H33N
Molecular Weight323.52 g/mol
Exact Mass323.26
IUPAC Name(3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
SMILESCc1ccc(C)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1
InChIInChI=1S/C23H33N/c1-17(2)24(18(3)4)15-14-22(21-10-8-7-9-11-21)23-16-19(5)12-13-20(23)6/h7-13,16-18,22H,14-15H2,1-6H3/t22-/m1/s1
InChIKeyLLPKTPSPWVSJJP-JOCHJYFZSA-N
XLogP5.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
CID 25023480
(3R)-3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine;hydrobromide
CID 67440218
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol;2-[(1R)-3-[[(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
CID 11468528
(3R)-2,3-dihydroxybutanedioic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
CID 91809622
(E)-but-2-enedioic acid;3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 45357480
[2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenyl] N-ethylcarbamate
CID 123154670
[2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenyl] butanoate;hydrochloride
CID 69133569
2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene
CID 66436960
2-[3-[[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
CID 10074968
(3R)-4-[2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenoxy]-2,3-dihydroxy-4-oxobutanoic acid
CID 24805247
[2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol
CID 54021285
N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
CID 66438254

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of (3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine (CID 70989552) is (3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for (3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for (3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine is Cc1ccc(C)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.
What is the InChIKey of (3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is LLPKTPSPWVSJJP-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H33N/c1-17(2)24(18(3)4)15-14-22(21-10-8-7-9-11-21)23-16-19(5)12-13-20(23)6/h7-13,16-18,22H,14-15H2,1-6H3/t22-/m1/s1.
What are the key properties of (3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
(3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 323.52 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 70989552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).