N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine

C18H28FN — CID 81026010

IUPACN-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1Cc1ccccc1F
InChIInChI=1S/C18H28FN/c1-2-12-20-14-17-10-5-3-4-8-15(17)13-16-9-6-7-11-18(16)19/h6-7,9,11,15,17,20H,2-5,8,10,12-14H2,1H3
InChIKeySOLVBRLSRGHHNK-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.56
Rot. Bonds6

About N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine

N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine (PubChem CID 81026010) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
PubChem CID81026010
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1Cc1ccccc1F
InChIInChI=1S/C18H28FN/c1-2-12-20-14-17-10-5-3-4-8-15(17)13-16-9-6-7-11-18(16)19/h6-7,9,11,15,17,20H,2-5,8,10,12-14H2,1H3
InChIKeySOLVBRLSRGHHNK-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028870
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103051816
N-[[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102864466
N-[[2-[(5-bromo-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81034707
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 115984723
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455
N-[[2-[(2,4-dichlorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81033102
N-[[2-[(2-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028471
N-[[2-[(2-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028015
N-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 105411507
N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 81027779
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103042336

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine (CID 81026010) is N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine is CCCNCC1CCCCCC1Cc1ccccc1F.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine?
The InChIKey is SOLVBRLSRGHHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-2-12-20-14-17-10-5-3-4-8-15(17)13-16-9-6-7-11-18(16)19/h6-7,9,11,15,17,20H,2-5,8,10,12-14H2,1H3.
What are the key properties of N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine?
N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 81026010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).