1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine

C15H22ClNO — CID 117423442

IUPAC1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(Cl)cc(OCC2CCC2)c1
InChIInChI=1S/C15H22ClNO/c1-15(2,17)9-12-6-13(16)8-14(7-12)18-10-11-4-3-5-11/h6-8,11H,3-5,9-10,17H2,1-2H3
InChIKeyKIEVDOGXTMTAEH-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.80
Rot. Bonds5

About 1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine

1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine (PubChem CID 117423442) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine
PubChem CID117423442
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(Cl)cc(OCC2CCC2)c1
InChIInChI=1S/C15H22ClNO/c1-15(2,17)9-12-6-13(16)8-14(7-12)18-10-11-4-3-5-11/h6-8,11H,3-5,9-10,17H2,1-2H3
InChIKeyKIEVDOGXTMTAEH-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine
CID 117382059
[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153
1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117313353
4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine
CID 117474195
1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine
CID 117382912
(E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine
CID 117382831
1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene
CID 138985972
[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine
CID 117492823
3-(cyclohexylmethoxy)-5-ethoxyaniline
CID 80748419
3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117389863
3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine
CID 117418768
3-(cyclobutylmethoxy)-5-methylphenol
CID 107679985

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine (CID 117423442) is 1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine is CC(C)(N)Cc1cc(Cl)cc(OCC2CCC2)c1.
What is the InChIKey of 1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine?
The InChIKey is KIEVDOGXTMTAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-15(2,17)9-12-6-13(16)8-14(7-12)18-10-11-4-3-5-11/h6-8,11H,3-5,9-10,17H2,1-2H3.
What are the key properties of 1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine?
1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117423442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).