3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride

C10H14ClNO — CID 44572807

IUPAC3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1cccc(O)c1
InChIInChI=1S/C10H13NO.ClH/c11-6-8-5-10(8)7-2-1-3-9(12)4-7;/h1-4,8,10,12H,5-6,11H2;1H/t8-,10-;/m1./s1
InChIKeyLHXCXWVHXOBEJM-GHXDPTCOSA-N
MW199.68 g/mol
LogP1.88
Rot. Bonds2

About 3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride

3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride (PubChem CID 44572807) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride
PubChem CID44572807
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1cccc(O)c1
InChIInChI=1S/C10H13NO.ClH/c11-6-8-5-10(8)7-2-1-3-9(12)4-7;/h1-4,8,10,12H,5-6,11H2;1H/t8-,10-;/m1./s1
InChIKeyLHXCXWVHXOBEJM-GHXDPTCOSA-N
XLogP1.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride?
The IUPAC name of 3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride (CID 44572807) is 3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride?
The canonical SMILES for 3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride is Cl.NC[C@H]1C[C@@H]1c1cccc(O)c1.
What is the InChIKey of 3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride?
The InChIKey is LHXCXWVHXOBEJM-GHXDPTCOSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c11-6-8-5-10(8)7-2-1-3-9(12)4-7;/h1-4,8,10,12H,5-6,11H2;1H/t8-,10-;/m1./s1.
What are the key properties of 3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride?
3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenol;hydrochloride is sourced from PubChem (CID 44572807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).