2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride

C10H14ClNO — CID 171200964

IUPAC2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
SMILESCl.N[C@@H](c1ccccc1O)C1CC1
InChIInChI=1S/C10H13NO.ClH/c11-10(7-5-6-7)8-3-1-2-4-9(8)12;/h1-4,7,10,12H,5-6,11H2;1H/t10-;/m1./s1
InChIKeySTCCLQDDTOADFQ-HNCPQSOCSA-N
MW199.68 g/mol
LogP2.22
Rot. Bonds2

About 2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride

2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride (PubChem CID 171200964) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
PubChem CID171200964
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
SMILESCl.N[C@@H](c1ccccc1O)C1CC1
InChIInChI=1S/C10H13NO.ClH/c11-10(7-5-6-7)8-3-1-2-4-9(8)12;/h1-4,7,10,12H,5-6,11H2;1H/t10-;/m1./s1
InChIKeySTCCLQDDTOADFQ-HNCPQSOCSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653
4-[(R)-amino(cyclopropyl)methyl]benzene-1,3-diol;hydrochloride
CID 171200126
2-[(S)-amino(cyclopropyl)methyl]aniline
CID 130654214
2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol
CID 105459188
cyclopropyl-(2-iodophenyl)methanamine
CID 112684977
2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494
2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol
CID 131218158
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944
3-[amino(cyclobutyl)methyl]-2-methylphenol
CID 130061106
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140
(S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171230981

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride (CID 171200964) is 2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride is Cl.N[C@@H](c1ccccc1O)C1CC1.
What is the InChIKey of 2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride?
The InChIKey is STCCLQDDTOADFQ-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c11-10(7-5-6-7)8-3-1-2-4-9(8)12;/h1-4,7,10,12H,5-6,11H2;1H/t10-;/m1./s1.
What are the key properties of 2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride?
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride is sourced from PubChem (CID 171200964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).