2-(cyclopropylmethylamino)-2-phenylbutan-1-ol

C14H21NO — CID 61054828

IUPAC2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
SMILESCCC(CO)(NCC1CC1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-2-14(11-16,15-10-12-8-9-12)13-6-4-3-5-7-13/h3-7,12,15-16H,2,8-11H2,1H3
InChIKeyZAOWEBOUGQNZBU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.28
Rot. Bonds6

About 2-(cyclopropylmethylamino)-2-phenylbutan-1-ol

2-(cyclopropylmethylamino)-2-phenylbutan-1-ol (PubChem CID 61054828) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
PubChem CID61054828
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
SMILESCCC(CO)(NCC1CC1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-2-14(11-16,15-10-12-8-9-12)13-6-4-3-5-7-13/h3-7,12,15-16H,2,8-11H2,1H3
InChIKeyZAOWEBOUGQNZBU-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 106206861
1-(azepan-1-yl)-2-[[(2S)-1-hydroxy-2-phenylbutan-2-yl]amino]ethanone
CID 95621718
2-(cyclopropylmethylamino)-2-phenylpentanamide
CID 54890154
2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol
CID 61046363
2-(4-methoxyanilino)-2-phenylbutan-1-ol
CID 61045130
2-(benzylamino)-2-(4-bromophenyl)butan-1-ol
CID 61046914
2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol
CID 61045994
2-benzyl-2-(cyclopropylmethylamino)butanoic acid
CID 79008033
2-(3-fluorophenyl)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 114872852
2-(3-fluoroanilino)-2-phenylbutan-1-ol
CID 61048101
3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807326

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-phenylbutan-1-ol?
The IUPAC name of 2-(cyclopropylmethylamino)-2-phenylbutan-1-ol (CID 61054828) is 2-(cyclopropylmethylamino)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-phenylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-phenylbutan-1-ol is CCC(CO)(NCC1CC1)c1ccccc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-phenylbutan-1-ol?
The InChIKey is ZAOWEBOUGQNZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-14(11-16,15-10-12-8-9-12)13-6-4-3-5-7-13/h3-7,12,15-16H,2,8-11H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-2-phenylbutan-1-ol?
2-(cyclopropylmethylamino)-2-phenylbutan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-phenylbutan-1-ol is sourced from PubChem (CID 61054828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).