1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine

C16H24ClNO — CID 82922401

IUPAC1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1OC1CCCCCC1
InChIInChI=1S/C16H24ClNO/c1-12(18)10-13-11-14(17)8-9-16(13)19-15-6-4-2-3-5-7-15/h8-9,11-12,15H,2-7,10,18H2,1H3
InChIKeyKYVFEZYZGNGDGJ-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.33
Rot. Bonds4

About 1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine

1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine (PubChem CID 82922401) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
PubChem CID82922401
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1OC1CCCCCC1
InChIInChI=1S/C16H24ClNO/c1-12(18)10-13-11-14(17)8-9-16(13)19-15-6-4-2-3-5-7-15/h8-9,11-12,15H,2-7,10,18H2,1H3
InChIKeyKYVFEZYZGNGDGJ-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
2-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 54931099
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
4-chloro-2-(chloromethyl)-1-cyclopentyloxybenzene
CID 43141955
methyl (2S)-2-amino-3-(5-chloro-2-cyclopropyloxyphenyl)propanoate
CID 171746443
1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine
CID 55012870
1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907979
4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine
CID 117387894
1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine
CID 114321808
2-[(5-chloro-2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
CID 122036987
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
CID 114862724

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine (CID 82922401) is 1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine is CC(N)Cc1cc(Cl)ccc1OC1CCCCCC1.
What is the InChIKey of 1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine?
The InChIKey is KYVFEZYZGNGDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12(18)10-13-11-14(17)8-9-16(13)19-15-6-4-2-3-5-7-15/h8-9,11-12,15H,2-7,10,18H2,1H3.
What are the key properties of 1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine?
1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine is sourced from PubChem (CID 82922401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).