[1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol

C17H27NO — CID 115454441

IUPAC[1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol
SMILESCC(C)(C)CC(NCC1(CO)CC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-16(2,3)11-15(14-7-5-4-6-8-14)18-12-17(13-19)9-10-17/h4-8,15,18-19H,9-13H2,1-3H3
InChIKeyQRZHHBQUUFBACQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.53
Rot. Bonds6

About [1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol

[1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol (PubChem CID 115454441) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol
PubChem CID115454441
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol
SMILESCC(C)(C)CC(NCC1(CO)CC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-16(2,3)11-15(14-7-5-4-6-8-14)18-12-17(13-19)9-10-17/h4-8,15,18-19H,9-13H2,1-3H3
InChIKeyQRZHHBQUUFBACQ-UHFFFAOYSA-N
XLogP3.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol
CID 115454270
4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 103921676
4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol
CID 106125736
2-(cyclohexylmethyl)-3-[(3,3-dimethyl-1-phenylbutyl)amino]propan-1-ol
CID 166383585
[1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol
CID 115358847
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740417
3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
CID 82836542
2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide
CID 43777761
[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358941
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methoxy-1-phenylethyl)urea
CID 111618774
N-[(2-chlorophenyl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740426

Frequently Asked Questions

What is the IUPAC name of [1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol (CID 115454441) is [1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol is CC(C)(C)CC(NCC1(CO)CC1)c1ccccc1.
What is the InChIKey of [1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol?
The InChIKey is QRZHHBQUUFBACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,3)11-15(14-7-5-4-6-8-14)18-12-17(13-19)9-10-17/h4-8,15,18-19H,9-13H2,1-3H3.
What are the key properties of [1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol?
[1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol has a molecular weight of 261.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115454441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).