N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine

C15H21Cl2N — CID 55195361

IUPACN-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C15H21Cl2N/c1-11(2)9-18-10-15(6-3-7-15)13-5-4-12(16)8-14(13)17/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3
InChIKeyCVBNBBFUGCBCIP-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.66
Rot. Bonds5

About N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine

N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 55195361) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID55195361
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC NameN-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C15H21Cl2N/c1-11(2)9-18-10-15(6-3-7-15)13-5-4-12(16)8-14(13)17/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3
InChIKeyCVBNBBFUGCBCIP-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65017042
N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55091372
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
N-[[1-(2,4-dichlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 63517640
N-[[1-(2,4-dichlorophenyl)cyclopentyl]methyl]-2-methoxyethanamine
CID 62595688
N-[[1-(2-chloro-4-fluorophenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine
CID 65353467
4-[[[1-(2,4-dichlorophenyl)cyclobutyl]methylamino]methyl]benzoic acid
CID 122032223
2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516825
N-[[1-(2-chloro-4-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65010796
1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008881
N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196271
2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
CID 63509928

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (CID 55195361) is N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(c2ccc(Cl)cc2Cl)CCC1.
What is the InChIKey of N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is CVBNBBFUGCBCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-11(2)9-18-10-15(6-3-7-15)13-5-4-12(16)8-14(13)17/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55195361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).