1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine

C16H25NO — CID 116722293

IUPAC1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine
SMILESCNC(CCCc1ccccc1)C(OC)C1CC1
InChIInChI=1S/C16H25NO/c1-17-15(16(18-2)14-11-12-14)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-17H,6,9-12H2,1-2H3
InChIKeyXHPYKDUZVVOWIJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.02
Rot. Bonds8

About 1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine

1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine (PubChem CID 116722293) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine
PubChem CID116722293
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine
SMILESCNC(CCCc1ccccc1)C(OC)C1CC1
InChIInChI=1S/C16H25NO/c1-17-15(16(18-2)14-11-12-14)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-17H,6,9-12H2,1-2H3
InChIKeyXHPYKDUZVVOWIJ-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-methoxy-5-phenylpentan-2-ol
CID 116756419
4-cyclopropyl-N-methyl-1-phenylpentan-3-amine
CID 115794259
N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine
CID 105139837
1-methoxy-N-methyl-6-phenylhexan-3-amine
CID 62605190
N-methyl-1,5-diphenylheptan-4-amine
CID 115849452
1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine
CID 65412583
1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine
CID 116722245
1-cyclopropyl-1-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 116722314
(5-methoxy-6-methyl-1-phenylheptan-4-yl)hydrazine
CID 105271935
N,3-dimethyl-6-phenylhexan-2-amine
CID 61485141
(4-chloro-4-methoxybutyl)benzene
CID 15657447
1-cyclohexyl-N-methyl-6-phenylhexan-3-amine
CID 115849338

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine?
The IUPAC name of 1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine (CID 116722293) is 1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine is CNC(CCCc1ccccc1)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine?
The InChIKey is XHPYKDUZVVOWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-17-15(16(18-2)14-11-12-14)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-17H,6,9-12H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine?
1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine is sourced from PubChem (CID 116722293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).