2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine

C13H18ClNO — CID 62228542

IUPAC2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine
SMILESCC(CNCC1CC1)Oc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-10(8-15-9-11-5-6-11)16-13-4-2-3-12(14)7-13/h2-4,7,10-11,15H,5-6,8-9H2,1H3
InChIKeyDPTSEIHZWRYPKS-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.11
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine

2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine (PubChem CID 62228542) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine
PubChem CID62228542
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine
SMILESCC(CNCC1CC1)Oc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-10(8-15-9-11-5-6-11)16-13-4-2-3-12(14)7-13/h2-4,7,10-11,15H,5-6,8-9H2,1H3
InChIKeyDPTSEIHZWRYPKS-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
N-benzyl-2-(3-chlorophenoxy)propan-1-amine
CID 55053571
N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111508484
N-[2-(3-chlorophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807141
N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide
CID 119336972
N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119336985
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119807128
3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine
CID 105152855
3-amino-N-[2-(3-chlorophenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119807110
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807127
3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride
CID 119336975
[3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine
CID 105311025

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine (CID 62228542) is 2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine is CC(CNCC1CC1)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine?
The InChIKey is DPTSEIHZWRYPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10(8-15-9-11-5-6-11)16-13-4-2-3-12(14)7-13/h2-4,7,10-11,15H,5-6,8-9H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine?
2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine has a molecular weight of 239.75 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine is sourced from PubChem (CID 62228542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).