N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine

C17H25NO — CID 82927729

IUPACN-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(OC2CCCCCC2)c1
InChIInChI=1S/C17H25NO/c1-2-4-8-16(7-3-1)19-17-9-5-6-14(12-17)13-18-15-10-11-15/h5-6,9,12,15-16,18H,1-4,7-8,10-11,13H2
InChIKeyYGPNCDVNRRETFZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.04
Rot. Bonds5

About N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine

N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine (PubChem CID 82927729) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
PubChem CID82927729
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(OC2CCCCCC2)c1
InChIInChI=1S/C17H25NO/c1-2-4-8-16(7-3-1)19-17-9-5-6-14(12-17)13-18-15-10-11-15/h5-6,9,12,15-16,18H,1-4,7-8,10-11,13H2
InChIKeyYGPNCDVNRRETFZ-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine
CID 114619665
N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55148555
(3-ethylphenoxy)cyclooctane
CID 91220327
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine
CID 17213620
N-[(3-prop-2-ynoxyphenyl)methyl]cyclohexanamine
CID 94074251
4-[3-[(cyclopropylamino)methyl]phenoxy]aniline
CID 116996638
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259

Frequently Asked Questions

What is the IUPAC name of N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine (CID 82927729) is N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine is c1cc(CNC2CC2)cc(OC2CCCCCC2)c1.
What is the InChIKey of N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine?
The InChIKey is YGPNCDVNRRETFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-4-8-16(7-3-1)19-17-9-5-6-14(12-17)13-18-15-10-11-15/h5-6,9,12,15-16,18H,1-4,7-8,10-11,13H2.
What are the key properties of N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine?
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 82927729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).