1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol

C14H21NO — CID 174775729

IUPAC1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol
SMILESCC(O)C1CC1C(C)c1ccc(CN)cc1
InChIInChI=1S/C14H21NO/c1-9(13-7-14(13)10(2)16)12-5-3-11(8-15)4-6-12/h3-6,9-10,13-14,16H,7-8,15H2,1-2H3
InChIKeyQVKHVEQDKZPNAF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.27
Rot. Bonds4

About 1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol

1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol (PubChem CID 174775729) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol
PubChem CID174775729
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol
SMILESCC(O)C1CC1C(C)c1ccc(CN)cc1
InChIInChI=1S/C14H21NO/c1-9(13-7-14(13)10(2)16)12-5-3-11(8-15)4-6-12/h3-6,9-10,13-14,16H,7-8,15H2,1-2H3
InChIKeyQVKHVEQDKZPNAF-UHFFFAOYSA-N
XLogP2.27
TPSA46.25 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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol?
The IUPAC name of 1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol (CID 174775729) is 1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol.
What is the SMILES notation for 1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol?
The canonical SMILES for 1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol is CC(O)C1CC1C(C)c1ccc(CN)cc1.
What is the InChIKey of 1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol?
The InChIKey is QVKHVEQDKZPNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9(13-7-14(13)10(2)16)12-5-3-11(8-15)4-6-12/h3-6,9-10,13-14,16H,7-8,15H2,1-2H3.
What are the key properties of 1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol?
1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol is sourced from PubChem (CID 174775729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).