N-methylmethanamine;1-(3-phenylpropoxy)naphthalene

C21H25NO — CID 142048688

IUPACN-methylmethanamine;1-(3-phenylpropoxy)naphthalene
SMILESCNC.c1ccc(CCCOc2cccc3ccccc23)cc1
InChIInChI=1S/C19H18O.C2H7N/c1-2-8-16(9-3-1)10-7-15-20-19-14-6-12-17-11-4-5-13-18(17)19;1-3-2/h1-6,8-9,11-14H,7,10,15H2;3H,1-2H3
InChIKeyVIMPFZFGXQIAAG-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.69
Rot. Bonds5

About N-methylmethanamine;1-(3-phenylpropoxy)naphthalene

N-methylmethanamine;1-(3-phenylpropoxy)naphthalene (PubChem CID 142048688) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-methylmethanamine;1-(3-phenylpropoxy)naphthalene.

Molecular Properties

Compound NameN-methylmethanamine;1-(3-phenylpropoxy)naphthalene
PubChem CID142048688
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-methylmethanamine;1-(3-phenylpropoxy)naphthalene
SMILESCNC.c1ccc(CCCOc2cccc3ccccc23)cc1
InChIInChI=1S/C19H18O.C2H7N/c1-2-8-16(9-3-1)10-7-15-20-19-14-6-12-17-11-4-5-13-18(17)19;1-3-2/h1-6,8-9,11-14H,7,10,15H2;3H,1-2H3
InChIKeyVIMPFZFGXQIAAG-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(3-phenylpropoxy)aniline
CID 54803384
1-butoxynaphthalene
CID 13262700
1-(4-methylpentoxy)naphthalene
CID 83168126
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
CID 2949357
N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 2182565
1-(3-chloropropoxy)naphthalene
CID 12685615
1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene
CID 71242526
N-methyl-2-(2-naphthalen-1-yloxyethoxy)ethanamine
CID 82085820
1-methoxy-N-methyl-3-naphthalen-1-yloxypropan-2-amine
CID 107506599
N-butyl-4-naphthalen-1-yloxybutan-1-amine
CID 2249724
3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
CID 2183626
4-methyl-2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole-5-carboxylic acid
CID 82154141

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;1-(3-phenylpropoxy)naphthalene?
The IUPAC name of N-methylmethanamine;1-(3-phenylpropoxy)naphthalene (CID 142048688) is N-methylmethanamine;1-(3-phenylpropoxy)naphthalene.
What is the SMILES notation for N-methylmethanamine;1-(3-phenylpropoxy)naphthalene?
The canonical SMILES for N-methylmethanamine;1-(3-phenylpropoxy)naphthalene is CNC.c1ccc(CCCOc2cccc3ccccc23)cc1.
What is the InChIKey of N-methylmethanamine;1-(3-phenylpropoxy)naphthalene?
The InChIKey is VIMPFZFGXQIAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O.C2H7N/c1-2-8-16(9-3-1)10-7-15-20-19-14-6-12-17-11-4-5-13-18(17)19;1-3-2/h1-6,8-9,11-14H,7,10,15H2;3H,1-2H3.
What are the key properties of N-methylmethanamine;1-(3-phenylpropoxy)naphthalene?
N-methylmethanamine;1-(3-phenylpropoxy)naphthalene has a molecular weight of 307.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;1-(3-phenylpropoxy)naphthalene is sourced from PubChem (CID 142048688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).