4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine

C15H22ClNO — CID 105157730

IUPAC4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine
SMILESCNC(CCC1CC1)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-11(15(17-2)9-8-12-6-7-12)18-14-5-3-4-13(16)10-14/h3-5,10-12,15,17H,6-9H2,1-2H3
InChIKeyXNFLTCQYFCRLRM-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.89
Rot. Bonds7

About 4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine

4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine (PubChem CID 105157730) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine
PubChem CID105157730
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine
SMILESCNC(CCC1CC1)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-11(15(17-2)9-8-12-6-7-12)18-14-5-3-4-13(16)10-14/h3-5,10-12,15,17H,6-9H2,1-2H3
InChIKeyXNFLTCQYFCRLRM-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine
CID 105311025
2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine
CID 105108066
2-(3-chlorophenoxy)-N,5-dimethylhex-5-en-3-amine
CID 105162977
3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine
CID 105152855
2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine
CID 62228542
2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine
CID 105080697
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700
1-(3-chlorophenoxy)-N,3-dimethylbutan-2-amine
CID 105077820
2-(3-chlorophenoxy)-1-(2-chlorophenyl)-N-methylpropan-1-amine
CID 105099609
2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine
CID 105187467
3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
CID 105084432
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine
CID 105146009

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine?
The IUPAC name of 4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine (CID 105157730) is 4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine.
What is the SMILES notation for 4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine?
The canonical SMILES for 4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine is CNC(CCC1CC1)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine?
The InChIKey is XNFLTCQYFCRLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(15(17-2)9-8-12-6-7-12)18-14-5-3-4-13(16)10-14/h3-5,10-12,15,17H,6-9H2,1-2H3.
What are the key properties of 4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine?
4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine has a molecular weight of 267.80 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine is sourced from PubChem (CID 105157730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).