1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride

C14H20Cl2N2O2 — CID 119748063

IUPAC1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1cc(Cl)ccc1OCCCNC(=O)C1(N)CC1.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-10-9-11(15)3-4-12(10)19-8-2-7-17-13(18)14(16)5-6-14;/h3-4,9H,2,5-8,16H2,1H3,(H,17,18);1H
InChIKeyYAIZOERQHYKEMQ-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.45
Rot. Bonds6

About 1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119748063) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119748063
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1cc(Cl)ccc1OCCCNC(=O)C1(N)CC1.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-10-9-11(15)3-4-12(10)19-8-2-7-17-13(18)14(16)5-6-14;/h3-4,9H,2,5-8,16H2,1H3,(H,17,18);1H
InChIKeyYAIZOERQHYKEMQ-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119306646
1-amino-N-[3-(2-methylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317018
1-[2-(4-chloro-2-methylphenoxy)ethylcarbamoyl]-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
CID 167926695
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286
3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide
CID 60578580
1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119813570
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
1-[3-(4-chloro-2-methylphenoxy)propyl]-3-[[2-(4-fluorophenyl)acetyl]amino]urea
CID 60580608
4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide
CID 47071541
N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119748101
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-chloro-2-methylphenoxy)propyl]acetamide;hydrochloride
CID 119748089

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride (CID 119748063) is 1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride is Cc1cc(Cl)ccc1OCCCNC(=O)C1(N)CC1.Cl.
What is the InChIKey of 1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is YAIZOERQHYKEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2.ClH/c1-10-9-11(15)3-4-12(10)19-8-2-7-17-13(18)14(16)5-6-14;/h3-4,9H,2,5-8,16H2,1H3,(H,17,18);1H.
What are the key properties of 1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 319.23 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119748063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).