(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine

C14H21NO2 — CID 124512291

IUPAC(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
SMILESCOc1cccc(CN[C@@H]2CCCOCC2)c1
InChIInChI=1S/C14H21NO2/c1-16-14-6-2-4-12(10-14)11-15-13-5-3-8-17-9-7-13/h2,4,6,10,13,15H,3,5,7-9,11H2,1H3/t13-/m1/s1
InChIKeyXACAUYDSLFRYKW-CYBMUJFWSA-N
MW235.33 g/mol
LogP2.35
Rot. Bonds4

About (4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine

(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine (PubChem CID 124512291) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine.

Molecular Properties

Compound Name(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
PubChem CID124512291
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
SMILESCOc1cccc(CN[C@@H]2CCCOCC2)c1
InChIInChI=1S/C14H21NO2/c1-16-14-6-2-4-12(10-14)11-15-13-5-3-8-17-9-7-13/h2,4,6,10,13,15H,3,5,7-9,11H2,1H3/t13-/m1/s1
InChIKeyXACAUYDSLFRYKW-CYBMUJFWSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]oxepan-4-amine
CID 65081407
N-benzyloxepan-4-amine
CID 65076712
3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64623988
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894908
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150172
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62905211

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine?
The IUPAC name of (4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine (CID 124512291) is (4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine.
What is the SMILES notation for (4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine?
The canonical SMILES for (4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine is COc1cccc(CN[C@@H]2CCCOCC2)c1.
What is the InChIKey of (4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine?
The InChIKey is XACAUYDSLFRYKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-14-6-2-4-12(10-14)11-15-13-5-3-8-17-9-7-13/h2,4,6,10,13,15H,3,5,7-9,11H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine?
(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine is sourced from PubChem (CID 124512291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).