2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine

C15H22ClNO — CID 175144065

IUPAC2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine
SMILESCNC1CC1c1cc(Cl)ccc1OCCC(C)C
InChIInChI=1S/C15H22ClNO/c1-10(2)6-7-18-15-5-4-11(16)8-13(15)12-9-14(12)17-3/h4-5,8,10,12,14,17H,6-7,9H2,1-3H3
InChIKeyPPQCQAQTYSSACU-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.84
Rot. Bonds6

About 2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine

2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine (PubChem CID 175144065) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine
PubChem CID175144065
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine
SMILESCNC1CC1c1cc(Cl)ccc1OCCC(C)C
InChIInChI=1S/C15H22ClNO/c1-10(2)6-7-18-15-5-4-11(16)8-13(15)12-9-14(12)17-3/h4-5,8,10,12,14,17H,6-7,9H2,1-3H3
InChIKeyPPQCQAQTYSSACU-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine (CID 175144065) is 2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine is CNC1CC1c1cc(Cl)ccc1OCCC(C)C.
What is the InChIKey of 2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine?
The InChIKey is PPQCQAQTYSSACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10(2)6-7-18-15-5-4-11(16)8-13(15)12-9-14(12)17-3/h4-5,8,10,12,14,17H,6-7,9H2,1-3H3.
What are the key properties of 2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine?
2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 175144065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).