1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol

C18H31NO2 — CID 2915985

IUPAC1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN(CC(C)C)CC(C)C
InChIInChI=1S/C18H31NO2/c1-14(2)10-19(11-15(3)4)12-17(20)13-21-18-9-7-6-8-16(18)5/h6-9,14-15,17,20H,10-13H2,1-5H3
InChIKeyBLSUZSBLONFRQS-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.35
Rot. Bonds9

About 1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol

1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 2915985) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID2915985
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN(CC(C)C)CC(C)C
InChIInChI=1S/C18H31NO2/c1-14(2)10-19(11-15(3)4)12-17(20)13-21-18-9-7-6-8-16(18)5/h6-9,14-15,17,20H,10-13H2,1-5H3
InChIKeyBLSUZSBLONFRQS-UHFFFAOYSA-N
XLogP3.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 24717275
1-(2-methylphenoxy)-3-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 46007466
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
CID 2914248
1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007031
1-[bis(prop-2-ynyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 111490400
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727
(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 95231993
1-[(3,5-dimethoxyphenyl)methyl-(3-methylbutyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 46006745
1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 78782947
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol (CID 2915985) is 1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CN(CC(C)C)CC(C)C.
What is the InChIKey of 1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is BLSUZSBLONFRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14(2)10-19(11-15(3)4)12-17(20)13-21-18-9-7-6-8-16(18)5/h6-9,14-15,17,20H,10-13H2,1-5H3.
What are the key properties of 1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol?
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 293.45 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 2915985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).