[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride

C11H16ClNO — CID 170900192

IUPAC[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1(COc2ccccc2)CC1
InChIInChI=1S/C11H15NO.ClH/c12-8-11(6-7-11)9-13-10-4-2-1-3-5-10;/h1-5H,6-9,12H2;1H
InChIKeyASAKRNYCUXQQHX-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.23
Rot. Bonds4

About [1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride

[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 170900192) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is [1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride
PubChem CID170900192
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1(COc2ccccc2)CC1
InChIInChI=1S/C11H15NO.ClH/c12-8-11(6-7-11)9-13-10-4-2-1-3-5-10;/h1-5H,6-9,12H2;1H
InChIKeyASAKRNYCUXQQHX-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenoxyethanamine
CID 15651
1-Phenoxy-2-propanamine
CID 37087
Methyl(3-phenoxypropyl)amine
CID 22067856
(3-Phenoxypropyl)amine
CID 418237
3-(4-Fluorophenoxy)propan-1-amine
CID 14025825
N-butyl-4-phenoxy-1-butanamine
CID 2248956
(E)-3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 13958757
3-(4-Phenoxyphenoxy)propan-1-amine hydrochloride
CID 16736359
(E)-3-fluoro-4-phenoxybut-2-en-1-amine
CID 42624010
(E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine
CID 42624093
3-Fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
3-Fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine
CID 54233584

Frequently Asked Questions

What is the IUPAC name of [1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride (CID 170900192) is [1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride is Cl.NCC1(COc2ccccc2)CC1.
What is the InChIKey of [1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is ASAKRNYCUXQQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c12-8-11(6-7-11)9-13-10-4-2-1-3-5-10;/h1-5H,6-9,12H2;1H.
What are the key properties of [1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride?
[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 170900192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).