(3-propylphenyl)-pyrrolidin-2-ylmethanol

C14H21NO — CID 106640142

IUPAC(3-propylphenyl)-pyrrolidin-2-ylmethanol
SMILESCCCc1cccc(C(O)C2CCCN2)c1
InChIInChI=1S/C14H21NO/c1-2-5-11-6-3-7-12(10-11)14(16)13-8-4-9-15-13/h3,6-7,10,13-16H,2,4-5,8-9H2,1H3
InChIKeyMLHVOKLARVBJBC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds4

About (3-propylphenyl)-pyrrolidin-2-ylmethanol

(3-propylphenyl)-pyrrolidin-2-ylmethanol (PubChem CID 106640142) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3-propylphenyl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(3-propylphenyl)-pyrrolidin-2-ylmethanol
PubChem CID106640142
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3-propylphenyl)-pyrrolidin-2-ylmethanol
SMILESCCCc1cccc(C(O)C2CCCN2)c1
InChIInChI=1S/C14H21NO/c1-2-5-11-6-3-7-12(10-11)14(16)13-8-4-9-15-13/h3,6-7,10,13-16H,2,4-5,8-9H2,1H3
InChIKeyMLHVOKLARVBJBC-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
CID 83484257
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
cyclohex-3-en-1-yl-(3-propylphenyl)methanol
CID 116542536
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
CID 69187424
ethane;(3-fluorophenyl)-pyrrolidin-2-ylmethanol;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 155698677
(2-phenylcyclopropyl)-(3-propylphenyl)methanol
CID 115838097
piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol
CID 23467209
4-[fluoro-(3-propylphenyl)methyl]piperidine
CID 116546553
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473450

Frequently Asked Questions

What is the IUPAC name of (3-propylphenyl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (3-propylphenyl)-pyrrolidin-2-ylmethanol (CID 106640142) is (3-propylphenyl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (3-propylphenyl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (3-propylphenyl)-pyrrolidin-2-ylmethanol is CCCc1cccc(C(O)C2CCCN2)c1.
What is the InChIKey of (3-propylphenyl)-pyrrolidin-2-ylmethanol?
The InChIKey is MLHVOKLARVBJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-5-11-6-3-7-12(10-11)14(16)13-8-4-9-15-13/h3,6-7,10,13-16H,2,4-5,8-9H2,1H3.
What are the key properties of (3-propylphenyl)-pyrrolidin-2-ylmethanol?
(3-propylphenyl)-pyrrolidin-2-ylmethanol has a molecular weight of 219.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylphenyl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 106640142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).