1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine

C14H20ClNO — CID 103783466

IUPAC1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine
SMILESCC(Cc1ccccc1Cl)NCC1(C)COC1
InChIInChI=1S/C14H20ClNO/c1-11(16-8-14(2)9-17-10-14)7-12-5-3-4-6-13(12)15/h3-6,11,16H,7-10H2,1-2H3
InChIKeyPLKIPDGASCSEFH-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.90
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine

1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine (PubChem CID 103783466) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine
PubChem CID103783466
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine
SMILESCC(Cc1ccccc1Cl)NCC1(C)COC1
InChIInChI=1S/C14H20ClNO/c1-11(16-8-14(2)9-17-10-14)7-12-5-3-4-6-13(12)15/h3-6,11,16H,7-10H2,1-2H3
InChIKeyPLKIPDGASCSEFH-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
CID 43677533
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252
N-[1-(2-chlorophenyl)propan-2-yl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864659
N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine
CID 62964473
N-[1-(2-chlorophenyl)propan-2-yl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865167
N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine
CID 102868324
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 43677455
N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80693498
1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine
CID 63428003
(1R)-1-(4-chlorophenyl)-2-[1-(2-chlorophenyl)propan-2-ylamino]ethanol
CID 70002682

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine (CID 103783466) is 1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine is CC(Cc1ccccc1Cl)NCC1(C)COC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine?
The InChIKey is PLKIPDGASCSEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11(16-8-14(2)9-17-10-14)7-12-5-3-4-6-13(12)15/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine?
1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine has a molecular weight of 253.77 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 103783466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).