1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol

C17H27NO2 — CID 78782947

IUPAC1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCCCN(CC(O)COc1ccccc1C)CC1CC1
InChIInChI=1S/C17H27NO2/c1-3-10-18(11-15-8-9-15)12-16(19)13-20-17-7-5-4-6-14(17)2/h4-7,15-16,19H,3,8-13H2,1-2H3
InChIKeySXWJIXGIFUIPTK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.86
Rot. Bonds9

About 1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol

1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 78782947) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID78782947
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCCCN(CC(O)COc1ccccc1C)CC1CC1
InChIInChI=1S/C17H27NO2/c1-3-10-18(11-15-8-9-15)12-16(19)13-20-17-7-5-4-6-14(17)2/h4-7,15-16,19H,3,8-13H2,1-2H3
InChIKeySXWJIXGIFUIPTK-UHFFFAOYSA-N
XLogP2.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
(2R)-1-[(2,5-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93161722
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
1-[bis(prop-2-ynyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 111490400
1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 42682310
(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 95231993
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
(2S)-1-[cyclopropylmethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93222514
2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile
CID 43288624
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727
(2R)-1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 98688528

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol (CID 78782947) is 1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol is CCCN(CC(O)COc1ccccc1C)CC1CC1.
What is the InChIKey of 1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is SXWJIXGIFUIPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-10-18(11-15-8-9-15)12-16(19)13-20-17-7-5-4-6-14(17)2/h4-7,15-16,19H,3,8-13H2,1-2H3.
What are the key properties of 1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol?
1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 78782947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).