N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine

C18H23N3O — CID 17213620

IUPACN-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine
SMILESc1cnc(Oc2cccc(CNC3CCCCCC3)c2)nc1
InChIInChI=1S/C18H23N3O/c1-2-4-9-16(8-3-1)21-14-15-7-5-10-17(13-15)22-18-19-11-6-12-20-18/h5-7,10-13,16,21H,1-4,8-9,14H2
InChIKeySGOOYQXRLUUDKR-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.08
Rot. Bonds5

About N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine

N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine (PubChem CID 17213620) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine
PubChem CID17213620
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine
SMILESc1cnc(Oc2cccc(CNC3CCCCCC3)c2)nc1
InChIInChI=1S/C18H23N3O/c1-2-4-9-16(8-3-1)21-14-15-7-5-10-17(13-15)22-18-19-11-6-12-20-18/h5-7,10-13,16,21H,1-4,8-9,14H2
InChIKeySGOOYQXRLUUDKR-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine
CID 17213568
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[(3-prop-2-ynoxyphenyl)methyl]cyclohexanamine
CID 94074251
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643
2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
CID 102535848
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine
CID 17206293
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058
4-[3-[(cyclopropylamino)methyl]phenoxy]aniline
CID 116996638
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine?
The IUPAC name of N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine (CID 17213620) is N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine is c1cnc(Oc2cccc(CNC3CCCCCC3)c2)nc1.
What is the InChIKey of N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine?
The InChIKey is SGOOYQXRLUUDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-4-9-16(8-3-1)21-14-15-7-5-10-17(13-15)22-18-19-11-6-12-20-18/h5-7,10-13,16,21H,1-4,8-9,14H2.
What are the key properties of N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine?
N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine has a molecular weight of 297.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine is sourced from PubChem (CID 17213620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).