N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine

C11H14ClNO — CID 81352324

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine
SMILESC[C@H](NC1COC1)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-8(13-11-6-14-7-11)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-/m0/s1
InChIKeyFPJOXUJEQZPSQT-QMMMGPOBSA-N
MW211.69 g/mol
LogP2.39
Rot. Bonds3

About N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine

N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine (PubChem CID 81352324) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine
PubChem CID81352324
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine
SMILESC[C@H](NC1COC1)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-8(13-11-6-14-7-11)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-/m0/s1
InChIKeyFPJOXUJEQZPSQT-QMMMGPOBSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
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
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79462351
N-[1-(3-chloro-4-fluorophenyl)ethyl]oxolan-3-amine
CID 80717161
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81355317
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81352982
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
N-[(1R)-1-(4-chlorophenyl)ethyl]-1,1-dioxothian-4-amine
CID 81352385
4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
CID 28528172

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine (CID 81352324) is N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine is C[C@H](NC1COC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine?
The InChIKey is FPJOXUJEQZPSQT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8(13-11-6-14-7-11)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine?
N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine has a molecular weight of 211.69 g/mol, XLogP of 2.39, 3 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]oxetan-3-amine is sourced from PubChem (CID 81352324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).