4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine

C16H26N2O — CID 65079216

IUPAC4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine
SMILESCc1ccccc1CN(C)C1(CN)CCCOCC1
InChIInChI=1S/C16H26N2O/c1-14-6-3-4-7-15(14)12-18(2)16(13-17)8-5-10-19-11-9-16/h3-4,6-7H,5,8-13,17H2,1-2H3
InChIKeyUDSUSHATXPDHTF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.32
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine

4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine (PubChem CID 65079216) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine
PubChem CID65079216
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine
SMILESCc1ccccc1CN(C)C1(CN)CCCOCC1
InChIInChI=1S/C16H26N2O/c1-14-6-3-4-7-15(14)12-18(2)16(13-17)8-5-10-19-11-9-16/h3-4,6-7H,5,8-13,17H2,1-2H3
InChIKeyUDSUSHATXPDHTF-UHFFFAOYSA-N
XLogP2.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]cycloheptan-1-amine
CID 65084666
4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine
CID 65079215
4-(aminomethyl)-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 61411927
4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine
CID 65079500
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine
CID 65079383
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine
CID 63335335
1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 64501771
4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine
CID 105414221
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 28759377
2-[1-[methyl-[(2-methylphenyl)methyl]amino]cyclohexyl]acetic acid
CID 65242856
4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine
CID 65078991
3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine
CID 63335610

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine (CID 65079216) is 4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine is Cc1ccccc1CN(C)C1(CN)CCCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine?
The InChIKey is UDSUSHATXPDHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-6-3-4-7-15(14)12-18(2)16(13-17)8-5-10-19-11-9-16/h3-4,6-7H,5,8-13,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine?
4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine is sourced from PubChem (CID 65079216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).