N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine

C17H26ClNO — CID 115954562

IUPACN-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Cl)c1OC1CCCCCC1
InChIInChI=1S/C17H26ClNO/c1-13(2)19-12-14-8-7-11-16(18)17(14)20-15-9-5-3-4-6-10-15/h7-8,11,13,15,19H,3-6,9-10,12H2,1-2H3
InChIKeyNVBFESTZLYNHIY-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.94
Rot. Bonds5

About N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine

N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine (PubChem CID 115954562) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine
PubChem CID115954562
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Cl)c1OC1CCCCCC1
InChIInChI=1S/C17H26ClNO/c1-13(2)19-12-14-8-7-11-16(18)17(14)20-15-9-5-3-4-6-10-15/h7-8,11,13,15,19H,3-6,9-10,12H2,1-2H3
InChIKeyNVBFESTZLYNHIY-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
N-[[3-chloro-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 115954788
N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine
CID 115954063
N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 115955018
N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953858
N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953723
6-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]hexan-1-ol
CID 107702816
N-[[3-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 112610346
N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134518
N-[(5-bromo-2-cyclohexyloxy-3-methylphenyl)methyl]propan-2-amine
CID 115961427
N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82926270
N-[(2-cyclobutyloxy-3-pyridinyl)methyl]propan-2-amine
CID 62287341

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine (CID 115954562) is N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine is CC(C)NCc1cccc(Cl)c1OC1CCCCCC1.
What is the InChIKey of N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine?
The InChIKey is NVBFESTZLYNHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-13(2)19-12-14-8-7-11-16(18)17(14)20-15-9-5-3-4-6-10-15/h7-8,11,13,15,19H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine?
N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine has a molecular weight of 295.85 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 115954562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).