N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine

C19H23NO — CID 130453676

IUPACN-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine
SMILESCN(CCOc1ccccc1C1CC1)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-20(15-16-7-3-2-4-8-16)13-14-21-19-10-6-5-9-18(19)17-11-12-17/h2-10,17H,11-15H2,1H3
InChIKeyFCRMMWDGQNMIST-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.07
Rot. Bonds7

About N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine

N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine (PubChem CID 130453676) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine.

Molecular Properties

Compound NameN-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine
PubChem CID130453676
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine
SMILESCN(CCOc1ccccc1C1CC1)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-20(15-16-7-3-2-4-8-16)13-14-21-19-10-6-5-9-18(19)17-11-12-17/h2-10,17H,11-15H2,1H3
InChIKeyFCRMMWDGQNMIST-UHFFFAOYSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile
CID 130453663
2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde
CID 18933661
N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 2182565
4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile
CID 18933650
ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol
CID 163370228
N-benzyl-N-methyl-2-piperidin-4-yloxyethanamine
CID 63903578
N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine
CID 70694658
N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine
CID 18933589
1-(bromomethoxy)-2-cyclopropylbenzene
CID 174624638
2-[3-[benzyl(methyl)amino]propoxy]benzonitrile
CID 43288640
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine
CID 142440877

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine?
The IUPAC name of N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine (CID 130453676) is N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine.
What is the SMILES notation for N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine?
The canonical SMILES for N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine is CN(CCOc1ccccc1C1CC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine?
The InChIKey is FCRMMWDGQNMIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-20(15-16-7-3-2-4-8-16)13-14-21-19-10-6-5-9-18(19)17-11-12-17/h2-10,17H,11-15H2,1H3.
What are the key properties of N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine?
N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine is sourced from PubChem (CID 130453676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).