1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine

C14H20ClNO — CID 65459305

IUPAC1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C14H20ClNO/c1-10(16)7-12-8-13(15)5-6-14(12)17-9-11-3-2-4-11/h5-6,8,10-11H,2-4,7,9,16H2,1H3
InChIKeyQDSKZHATKQFSLB-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.41
Rot. Bonds5

About 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine

1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine (PubChem CID 65459305) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
PubChem CID65459305
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C14H20ClNO/c1-10(16)7-12-8-13(15)5-6-14(12)17-9-11-3-2-4-11/h5-6,8,10-11H,2-4,7,9,16H2,1H3
InChIKeyQDSKZHATKQFSLB-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 117354157
1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907979
1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
CID 82922401
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894105
3-[5-chloro-2-(cyclobutylmethoxy)phenyl]propanal
CID 117384880
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
CID 114862724
1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
CID 170894074

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine (CID 65459305) is 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine is CC(N)Cc1cc(Cl)ccc1OCC1CCC1.
What is the InChIKey of 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine?
The InChIKey is QDSKZHATKQFSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(16)7-12-8-13(15)5-6-14(12)17-9-11-3-2-4-11/h5-6,8,10-11H,2-4,7,9,16H2,1H3.
What are the key properties of 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine?
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine has a molecular weight of 253.77 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 65459305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).