1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol

C18H27NO2 — CID 103156399

IUPAC1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
SMILESOC(COc1cccc(CNC2CC2)c1)CC1CCCC1
InChIInChI=1S/C18H27NO2/c20-17(10-14-4-1-2-5-14)13-21-18-7-3-6-15(11-18)12-19-16-8-9-16/h3,6-7,11,14,16-17,19-20H,1-2,4-5,8-10,12-13H2
InChIKeyFCZWFXZDZRMJCU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.26
Rot. Bonds8

About 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol

1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol (PubChem CID 103156399) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
PubChem CID103156399
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
SMILESOC(COc1cccc(CNC2CC2)c1)CC1CCCC1
InChIInChI=1S/C18H27NO2/c20-17(10-14-4-1-2-5-14)13-21-18-7-3-6-15(11-18)12-19-16-8-9-16/h3,6-7,11,14,16-17,19-20H,1-2,4-5,8-10,12-13H2
InChIKeyFCZWFXZDZRMJCU-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900614
1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161079
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
CID 102535848
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide
CID 103160504
3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 43311904
4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol
CID 45188341
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
1-[3-[(cyclopentylamino)methyl]phenoxy]-3-[5-ethenyl-4-(methylideneamino)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
CID 144986440
N-[(3-prop-2-ynoxyphenyl)methyl]cyclohexanamine
CID 94074251
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol (CID 103156399) is 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol is OC(COc1cccc(CNC2CC2)c1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol?
The InChIKey is FCZWFXZDZRMJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c20-17(10-14-4-1-2-5-14)13-21-18-7-3-6-15(11-18)12-19-16-8-9-16/h3,6-7,11,14,16-17,19-20H,1-2,4-5,8-10,12-13H2.
What are the key properties of 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol?
1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol has a molecular weight of 289.42 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 103156399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).