1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine

C14H21ClN2 — CID 81170816

IUPAC1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
SMILESCC(c1ccc(Cl)cc1)N(C)CC1(N)CCC1
InChIInChI=1S/C14H21ClN2/c1-11(12-4-6-13(15)7-5-12)17(2)10-14(16)8-3-9-14/h4-7,11H,3,8-10,16H2,1-2H3
InChIKeyRWSQWIMAFQKLGB-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.21
Rot. Bonds4

About 1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine

1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine (PubChem CID 81170816) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
PubChem CID81170816
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
SMILESCC(c1ccc(Cl)cc1)N(C)CC1(N)CCC1
InChIInChI=1S/C14H21ClN2/c1-11(12-4-6-13(15)7-5-12)17(2)10-14(16)8-3-9-14/h4-7,11H,3,8-10,16H2,1-2H3
InChIKeyRWSQWIMAFQKLGB-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine
CID 104595035
2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile
CID 65493424
1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129786
1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
CID 62985578
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79856564
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
[1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912658
1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62984001
N-[(1-aminocyclopropyl)methyl]-4-chloro-N-methylaniline
CID 84781400
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbut-2-en-1-amine
CID 77051639
1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine
CID 105417210

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine (CID 81170816) is 1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine is CC(c1ccc(Cl)cc1)N(C)CC1(N)CCC1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine?
The InChIKey is RWSQWIMAFQKLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(12-4-6-13(15)7-5-12)17(2)10-14(16)8-3-9-14/h4-7,11H,3,8-10,16H2,1-2H3.
What are the key properties of 1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine?
1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine has a molecular weight of 252.79 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 81170816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).