3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol

C18H31NO — CID 65105672

IUPAC3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C18H31NO/c1-6-18(20,7-2)14-19-15(3)13-17(4,5)16-11-9-8-10-12-16/h8-12,15,19-20H,6-7,13-14H2,1-5H3
InChIKeyIUJPCOPPYPIRNL-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.88
Rot. Bonds8

About 3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol

3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol (PubChem CID 65105672) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
PubChem CID65105672
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C18H31NO/c1-6-18(20,7-2)14-19-15(3)13-17(4,5)16-11-9-8-10-12-16/h8-12,15,19-20H,6-7,13-14H2,1-5H3
InChIKeyIUJPCOPPYPIRNL-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol
CID 65107916
N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine
CID 103921230
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
CID 115906615
N-hexyl-4-methyl-4-phenylpentan-2-amine
CID 43769669
N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 43754808
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine
CID 154638784
4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
CID 81351069
1-(hexan-2-ylamino)-2-phenylpropan-2-ol
CID 62374352
N-(2-cyclopentylethyl)-4-methyl-4-phenylpentan-2-amine
CID 63450264

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol (CID 65105672) is 3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNC(C)CC(C)(C)c1ccccc1.
What is the InChIKey of 3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol?
The InChIKey is IUJPCOPPYPIRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-18(20,7-2)14-19-15(3)13-17(4,5)16-11-9-8-10-12-16/h8-12,15,19-20H,6-7,13-14H2,1-5H3.
What are the key properties of 3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol?
3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol has a molecular weight of 277.45 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65105672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).