3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol

C14H23NO3 — CID 144861807

IUPAC3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol
SMILESNc1ccccc1CCCO.OC1(O)CCCC1
InChIInChI=1S/C9H13NO.C5H10O2/c10-9-6-2-1-4-8(9)5-3-7-11;6-5(7)3-1-2-4-5/h1-2,4,6,11H,3,5,7,10H2;6-7H,1-4H2
InChIKeyLHYBBPGJJGCBLQ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.43
Rot. Bonds3

About 3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol

3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol (PubChem CID 144861807) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol.

Molecular Properties

Compound Name3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol
PubChem CID144861807
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol
SMILESNc1ccccc1CCCO.OC1(O)CCCC1
InChIInChI=1S/C9H13NO.C5H10O2/c10-9-6-2-1-4-8(9)5-3-7-11;6-5(7)3-1-2-4-5/h1-2,4,6,11H,3,5,7,10H2;6-7H,1-4H2
InChIKeyLHYBBPGJJGCBLQ-UHFFFAOYSA-N
XLogP1.43
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 67906249
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S-[5-(2-chlorophenyl)pentoxy]thiohydroxylamine;cyclopentane-1,1-diol
CID 144861583
2-[(1-fluorocyclopropyl)methyl]aniline
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2-tetradecylaniline
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2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline
CID 107274472
3-[(2-aminophenyl)methyl]pyrrolidin-3-ol
CID 105446228
4-[(2-aminophenyl)methyl]thian-4-ol
CID 105481144
3-amino-4-(3-hydroxypropyl)phenol
CID 67360717
2-pent-4-enylaniline
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CID 62526209

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol?
The IUPAC name of 3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol (CID 144861807) is 3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol.
What is the SMILES notation for 3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol?
The canonical SMILES for 3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol is Nc1ccccc1CCCO.OC1(O)CCCC1.
What is the InChIKey of 3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol?
The InChIKey is LHYBBPGJJGCBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C5H10O2/c10-9-6-2-1-4-8(9)5-3-7-11;6-5(7)3-1-2-4-5/h1-2,4,6,11H,3,5,7,10H2;6-7H,1-4H2.
What are the key properties of 3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol?
3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol has a molecular weight of 253.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol is sourced from PubChem (CID 144861807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).