N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine

C14H20ClN — CID 104866435

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C14H20ClN/c1-10(9-12-7-8-12)16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyFTUGAOIOUBBQST-RRKGBCIJSA-N
MW237.77 g/mol
LogP4.18
Rot. Bonds5

About N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine

N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine (PubChem CID 104866435) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine
PubChem CID104866435
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C14H20ClN/c1-10(9-12-7-8-12)16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyFTUGAOIOUBBQST-RRKGBCIJSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 113489915
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 103906303
N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541521
1-cyclopropyl-N-[1-(2,3-difluorophenyl)ethyl]propan-2-amine
CID 103906225
1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 113489913
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749075
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 81377394
N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine
CID 43081081
N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43078952

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine (CID 104866435) is N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine is CC(CC1CC1)N[C@H](C)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine?
The InChIKey is FTUGAOIOUBBQST-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10(9-12-7-8-12)16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine?
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine has a molecular weight of 237.77 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine is sourced from PubChem (CID 104866435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).