N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C17H24ClNO — CID 64863686

IUPACN-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCC(NC1C2CCOC2C1(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H24ClNO/c1-4-14(11-6-5-7-12(18)10-11)19-15-13-8-9-20-16(13)17(15,2)3/h5-7,10,13-16,19H,4,8-9H2,1-3H3
InChIKeyNDBPZWQNVLJTAY-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.19
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64863686) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64863686
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCC(NC1C2CCOC2C1(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H24ClNO/c1-4-14(11-6-5-7-12(18)10-11)19-15-13-8-9-20-16(13)17(15,2)3/h5-7,10,13-16,19H,4,8-9H2,1-3H3
InChIKeyNDBPZWQNVLJTAY-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol
CID 103921748
N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358685
7,7-dimethyl-N-[(1S)-1-phenylethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 81350612
N-[1-(4-chlorophenyl)-2-methylpropyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864860
N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998685
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574
2-[2-(3-chlorophenyl)-2-hydroxyethyl]-1-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-ethylguanidine;hydroiodide
CID 119153146
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
2-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 62365100
N-[1-(2,6-difluorophenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864680
3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 43751330

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64863686) is N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CCC(NC1C2CCOC2C1(C)C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is NDBPZWQNVLJTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-4-14(11-6-5-7-12(18)10-11)19-15-13-8-9-20-16(13)17(15,2)3/h5-7,10,13-16,19H,4,8-9H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 293.84 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64863686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).