N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine

C17H26ClN — CID 64998152

IUPACN-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CC(CNCC(C)C)(c2ccccc2Cl)C1
InChIInChI=1S/C17H26ClN/c1-4-14-9-17(10-14,12-19-11-13(2)3)15-7-5-6-8-16(15)18/h5-8,13-14,19H,4,9-12H2,1-3H3
InChIKeyOBDAPODKSKHLON-UHFFFAOYSA-N
MW279.86 g/mol
LogP4.64
Rot. Bonds6

About N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine

N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 64998152) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID64998152
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC NameN-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CC(CNCC(C)C)(c2ccccc2Cl)C1
InChIInChI=1S/C17H26ClN/c1-4-14-9-17(10-14,12-19-11-13(2)3)15-7-5-6-8-16(15)18/h5-8,13-14,19H,4,9-12H2,1-3H3
InChIKeyOBDAPODKSKHLON-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55091372
N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998212
N-[[1-(3-chloro-2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 82791443
N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
CID 65013812
N-[[1-(2-chloro-4-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65010796
N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65013877
N-[[1-(2-chloro-6-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65013581
N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65017042
N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine
CID 64997625
N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine
CID 65013814
1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 64997896
N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55195361

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine (CID 64998152) is N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine is CCC1CC(CNCC(C)C)(c2ccccc2Cl)C1.
What is the InChIKey of N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is OBDAPODKSKHLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-4-14-9-17(10-14,12-19-11-13(2)3)15-7-5-6-8-16(15)18/h5-8,13-14,19H,4,9-12H2,1-3H3.
What are the key properties of N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64998152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).