2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol

C19H33NO — CID 79490992

IUPAC2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol
SMILESCCC(CC)N(CC(C)C)CC(C)C(O)c1ccccc1
InChIInChI=1S/C19H33NO/c1-6-18(7-2)20(13-15(3)4)14-16(5)19(21)17-11-9-8-10-12-17/h8-12,15-16,18-19,21H,6-7,13-14H2,1-5H3
InChIKeyRFQDKBPMHCNNFN-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.50
Rot. Bonds9

About 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol

2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol (PubChem CID 79490992) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol
PubChem CID79490992
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol
SMILESCCC(CC)N(CC(C)C)CC(C)C(O)c1ccccc1
InChIInChI=1S/C19H33NO/c1-6-18(7-2)20(13-15(3)4)14-16(5)19(21)17-11-9-8-10-12-17/h8-12,15-16,18-19,21H,6-7,13-14H2,1-5H3
InChIKeyRFQDKBPMHCNNFN-UHFFFAOYSA-N
XLogP4.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-ol
CID 62619340
3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62617124
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
2-[2-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenyl]acetic acid
CID 115462976
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
3-[cyclopropyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62619676
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556
(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546
1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol
CID 79490998
2-methyl-1-phenylhexane-1,5-diol
CID 104846103
3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62618121

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol (CID 79490992) is 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol is CCC(CC)N(CC(C)C)CC(C)C(O)c1ccccc1.
What is the InChIKey of 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol?
The InChIKey is RFQDKBPMHCNNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-18(7-2)20(13-15(3)4)14-16(5)19(21)17-11-9-8-10-12-17/h8-12,15-16,18-19,21H,6-7,13-14H2,1-5H3.
What are the key properties of 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol?
2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol has a molecular weight of 291.48 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 79490992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).