N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine

C16H24ClNO — CID 81352507

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(N[C@@H](C)c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C16H24ClNO/c1-3-4-16-11-15(9-10-19-16)18-12(2)13-5-7-14(17)8-6-13/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3/t12-,15?,16?/m0/s1
InChIKeyGSWOOLZDMFUJME-JQRITLKVSA-N
MW281.83 g/mol
LogP4.34
Rot. Bonds5

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine (PubChem CID 81352507) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine
PubChem CID81352507
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(N[C@@H](C)c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C16H24ClNO/c1-3-4-16-11-15(9-10-19-16)18-12(2)13-5-7-14(17)8-6-13/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3/t12-,15?,16?/m0/s1
InChIKeyGSWOOLZDMFUJME-JQRITLKVSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-propyloxan-4-amine
CID 81353815
N-[(1S)-1-(3-methylphenyl)ethyl]-2-propyloxan-4-amine
CID 81364604
2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine
CID 81347446
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-propyloxan-4-amine
CID 81397734
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
N-(2,6-dichlorophenyl)-2-propyloxan-4-amine
CID 65468926
3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79462351
N-[1-(4-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103711389
N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335540
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine
CID 81365028
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562140
N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560864

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine (CID 81352507) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine is CCCC1CC(N[C@@H](C)c2ccc(Cl)cc2)CCO1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine?
The InChIKey is GSWOOLZDMFUJME-JQRITLKVSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-4-16-11-15(9-10-19-16)18-12(2)13-5-7-14(17)8-6-13/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3/t12-,15?,16?/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine has a molecular weight of 281.83 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine is sourced from PubChem (CID 81352507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).