1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine

C12H17ClN2 — CID 81377651

IUPAC1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine
SMILESC[C@@H](NC1CC(N)C1)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2/c1-8(15-10-6-9(14)7-10)11-4-2-3-5-12(11)13/h2-5,8-10,15H,6-7,14H2,1H3/t8-,9?,10?/m1/s1
InChIKeyRGLRFILRADFLMS-XNWIYYODSA-N
MW224.74 g/mol
LogP2.48
Rot. Bonds3

About 1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine

1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine (PubChem CID 81377651) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine
PubChem CID81377651
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine
SMILESC[C@@H](NC1CC(N)C1)c1ccccc1Cl
InChIInChI=1S/C12H17ClN2/c1-8(15-10-6-9(14)7-10)11-4-2-3-5-12(11)13/h2-5,8-10,15H,6-7,14H2,1H3/t8-,9?,10?/m1/s1
InChIKeyRGLRFILRADFLMS-XNWIYYODSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471035
N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81377645
3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634204
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine
CID 81377862
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 29040454
N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 43079434
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585198
N-[1-(2-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981846
N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
CID 79724475
N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 114817141

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine (CID 81377651) is 1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine is C[C@@H](NC1CC(N)C1)c1ccccc1Cl.
What is the InChIKey of 1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine?
The InChIKey is RGLRFILRADFLMS-XNWIYYODSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8(15-10-6-9(14)7-10)11-4-2-3-5-12(11)13/h2-5,8-10,15H,6-7,14H2,1H3/t8-,9?,10?/m1/s1.
What are the key properties of 1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine?
1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine has a molecular weight of 224.74 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 81377651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).