N-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine

C18H28N2O — CID 115463777

IUPACN-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine
SMILESCC1(C)CN(Cc2ccccc2CCNC2CC2)CCO1
InChIInChI=1S/C18H28N2O/c1-18(2)14-20(11-12-21-18)13-16-6-4-3-5-15(16)9-10-19-17-7-8-17/h3-6,17,19H,7-14H2,1-2H3
InChIKeyTYLBSBSBSHTWHS-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.59
Rot. Bonds6

About N-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine

N-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 115463777) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine
PubChem CID115463777
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine
SMILESCC1(C)CN(Cc2ccccc2CCNC2CC2)CCO1
InChIInChI=1S/C18H28N2O/c1-18(2)14-20(11-12-21-18)13-16-6-4-3-5-15(16)9-10-19-17-7-8-17/h3-6,17,19H,7-14H2,1-2H3
InChIKeyTYLBSBSBSHTWHS-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-[(2-methylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine
CID 115463473
N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62432060
[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]boronic acid
CID 54970678
2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine
CID 55649204
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214
2-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
CID 114048476
3-[(2,2-dimethylmorpholin-4-yl)methyl]-N-ethylpyridin-2-amine
CID 62470276
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-dimethylmorpholine
CID 113277982
N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62433300
2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine
CID 83033151
N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
CID 62570408
2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine
CID 115464149

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine (CID 115463777) is N-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine is CC1(C)CN(Cc2ccccc2CCNC2CC2)CCO1.
What is the InChIKey of N-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is TYLBSBSBSHTWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2)14-20(11-12-21-18)13-16-6-4-3-5-15(16)9-10-19-17-7-8-17/h3-6,17,19H,7-14H2,1-2H3.
What are the key properties of N-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 288.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 115463777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).