1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine

C15H21ClN2O — CID 117450919

IUPAC1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(CN3CCOCC3)c(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O/c16-14-9-12(10-15(17)3-4-15)1-2-13(14)11-18-5-7-19-8-6-18/h1-2,9H,3-8,10-11,17H2
InChIKeyFJOVWSROOQJLQQ-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.21
Rot. Bonds4

About 1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine

1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117450919) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117450919
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(CN3CCOCC3)c(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O/c16-14-9-12(10-15(17)3-4-15)1-2-13(14)11-18-5-7-19-8-6-18/h1-2,9H,3-8,10-11,17H2
InChIKeyFJOVWSROOQJLQQ-UHFFFAOYSA-N
XLogP2.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-chloro-4-(1-isocyanatocyclopropyl)phenyl]methyl]morpholine
CID 117472704
[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
CID 143579646
[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 102662930
2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
CID 117425550
4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine
CID 91405859
1-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 117416322
[3-chloro-4-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]phenyl]methanamine
CID 107453592
3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 117481323
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine
CID 117450927
4-[(2-chloro-4-fluorophenyl)methyl]oxan-4-amine
CID 63220505

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine (CID 117450919) is 1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine is NC1(Cc2ccc(CN3CCOCC3)c(Cl)c2)CC1.
What is the InChIKey of 1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is FJOVWSROOQJLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-14-9-12(10-15(17)3-4-15)1-2-13(14)11-18-5-7-19-8-6-18/h1-2,9H,3-8,10-11,17H2.
What are the key properties of 1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine?
1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 280.80 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117450919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).