1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol

C16H23NO — CID 117118217

IUPAC1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol
SMILESOC1(CCc2ccc(CC3CCCN3)cc2)CC1
InChIInChI=1S/C16H23NO/c18-16(9-10-16)8-7-13-3-5-14(6-4-13)12-15-2-1-11-17-15/h3-6,15,17-18H,1-2,7-12H2
InChIKeyVTMAUWDGKKTVMQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.44
Rot. Bonds5

About 1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol

1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol (PubChem CID 117118217) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol
PubChem CID117118217
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol
SMILESOC1(CCc2ccc(CC3CCCN3)cc2)CC1
InChIInChI=1S/C16H23NO/c18-16(9-10-16)8-7-13-3-5-14(6-4-13)12-15-2-1-11-17-15/h3-6,15,17-18H,1-2,7-12H2
InChIKeyVTMAUWDGKKTVMQ-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(2-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117296650
2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanamine
CID 178108165
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol
CID 117118207
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine
CID 174595091
4-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazine-2,6-dione
CID 117436119

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol (CID 117118217) is 1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol is OC1(CCc2ccc(CC3CCCN3)cc2)CC1.
What is the InChIKey of 1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol?
The InChIKey is VTMAUWDGKKTVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16(9-10-16)8-7-13-3-5-14(6-4-13)12-15-2-1-11-17-15/h3-6,15,17-18H,1-2,7-12H2.
What are the key properties of 1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol?
1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(pyrrolidin-2-ylmethyl)phenyl]ethyl]cyclopropan-1-ol is sourced from PubChem (CID 117118217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).