1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine

C17H26N2 — CID 82753134

IUPAC1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(CN2CCC3CCCCC32)c1
InChIInChI=1S/C17H26N2/c1-18-12-14-5-4-6-15(11-14)13-19-10-9-16-7-2-3-8-17(16)19/h4-6,11,16-18H,2-3,7-10,12-13H2,1H3
InChIKeyYOSIGCNWHMKQRX-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.17
Rot. Bonds4

About 1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine

1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine (PubChem CID 82753134) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine
PubChem CID82753134
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(CN2CCC3CCCCC32)c1
InChIInChI=1S/C17H26N2/c1-18-12-14-5-4-6-15(11-14)13-19-10-9-16-7-2-3-8-17(16)19/h4-6,11,16-18H,2-3,7-10,12-13H2,1H3
InChIKeyYOSIGCNWHMKQRX-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]-N-methylmethanamine
CID 102728495
1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 82752108
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)benzonitrile
CID 43408898
N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]methyl]cyclopropanamine
CID 82752403
N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine
CID 55249216
N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62439444
1-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-methoxyphenyl]-N-methylmethanamine
CID 65320691
3-[(2-cyclohexylpyrrolidin-1-yl)methyl]benzoic acid
CID 122028648
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylaniline
CID 102726820
1-[(3-bromo-4-fluorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750472
1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62420766
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-fluoroaniline
CID 82747102

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine (CID 82753134) is 1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine is CNCc1cccc(CN2CCC3CCCCC32)c1.
What is the InChIKey of 1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine?
The InChIKey is YOSIGCNWHMKQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-18-12-14-5-4-6-15(11-14)13-19-10-9-16-7-2-3-8-17(16)19/h4-6,11,16-18H,2-3,7-10,12-13H2,1H3.
What are the key properties of 1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine?
1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine has a molecular weight of 258.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 82753134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).