[2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol

C22H31NO — CID 54021285

IUPAC[2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol
SMILESCC(C)N(CC[C@@H](c1ccccc1)c1ccccc1CO)C(C)C
InChIInChI=1S/C22H31NO/c1-17(2)23(18(3)4)15-14-22(19-10-6-5-7-11-19)21-13-9-8-12-20(21)16-24/h5-13,17-18,22,24H,14-16H2,1-4H3/t22-/m0/s1
InChIKeyKZCHNXOBHXLNMG-QFIPXVFZSA-N
MW325.50 g/mol
LogP4.82
Rot. Bonds8

About [2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol

[2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol (PubChem CID 54021285) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is [2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol
PubChem CID54021285
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name[2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol
SMILESCC(C)N(CC[C@@H](c1ccccc1)c1ccccc1CO)C(C)C
InChIInChI=1S/C22H31NO/c1-17(2)23(18(3)4)15-14-22(19-10-6-5-7-11-19)21-13-9-8-12-20(21)16-24/h5-13,17-18,22,24H,14-16H2,1-4H3/t22-/m0/s1
InChIKeyKZCHNXOBHXLNMG-QFIPXVFZSA-N
XLogP4.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol?
The IUPAC name of [2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol (CID 54021285) is [2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol.
What is the SMILES notation for [2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol?
The canonical SMILES for [2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol is CC(C)N(CC[C@@H](c1ccccc1)c1ccccc1CO)C(C)C.
What is the InChIKey of [2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol?
The InChIKey is KZCHNXOBHXLNMG-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H31NO/c1-17(2)23(18(3)4)15-14-22(19-10-6-5-7-11-19)21-13-9-8-12-20(21)16-24/h5-13,17-18,22,24H,14-16H2,1-4H3/t22-/m0/s1.
What are the key properties of [2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol?
[2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol has a molecular weight of 325.50 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]phenyl]methanol is sourced from PubChem (CID 54021285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).