N-[(3-propoxyphenyl)methyl]cycloheptanamine

C17H27NO — CID 29222103

IUPACN-[(3-propoxyphenyl)methyl]cycloheptanamine
SMILESCCCOc1cccc(CNC2CCCCCC2)c1
InChIInChI=1S/C17H27NO/c1-2-12-19-17-11-7-8-15(13-17)14-18-16-9-5-3-4-6-10-16/h7-8,11,13,16,18H,2-6,9-10,12,14H2,1H3
InChIKeyDAUZUBPKTQUJEP-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.29
Rot. Bonds6

About N-[(3-propoxyphenyl)methyl]cycloheptanamine

N-[(3-propoxyphenyl)methyl]cycloheptanamine (PubChem CID 29222103) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(3-propoxyphenyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(3-propoxyphenyl)methyl]cycloheptanamine
PubChem CID29222103
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(3-propoxyphenyl)methyl]cycloheptanamine
SMILESCCCOc1cccc(CNC2CCCCCC2)c1
InChIInChI=1S/C17H27NO/c1-2-12-19-17-11-7-8-15(13-17)14-18-16-9-5-3-4-6-10-16/h7-8,11,13,16,18H,2-6,9-10,12,14H2,1H3
InChIKeyDAUZUBPKTQUJEP-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
CID 115671617
2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
CID 55199783
(1S)-1-cyclopentyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81386219
N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine
CID 64866845
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424
N-[(3-propoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 60958213
N-[(3-prop-2-ynoxyphenyl)methyl]cyclohexanamine
CID 94074251
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine
CID 83006521
2,2,3,3-tetramethyl-N-[(3-propoxyphenyl)methyl]cyclopropan-1-amine
CID 79353261

Frequently Asked Questions

What is the IUPAC name of N-[(3-propoxyphenyl)methyl]cycloheptanamine?
The IUPAC name of N-[(3-propoxyphenyl)methyl]cycloheptanamine (CID 29222103) is N-[(3-propoxyphenyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(3-propoxyphenyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(3-propoxyphenyl)methyl]cycloheptanamine is CCCOc1cccc(CNC2CCCCCC2)c1.
What is the InChIKey of N-[(3-propoxyphenyl)methyl]cycloheptanamine?
The InChIKey is DAUZUBPKTQUJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-12-19-17-11-7-8-15(13-17)14-18-16-9-5-3-4-6-10-16/h7-8,11,13,16,18H,2-6,9-10,12,14H2,1H3.
What are the key properties of N-[(3-propoxyphenyl)methyl]cycloheptanamine?
N-[(3-propoxyphenyl)methyl]cycloheptanamine has a molecular weight of 261.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propoxyphenyl)methyl]cycloheptanamine is sourced from PubChem (CID 29222103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).