N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine

C17H29NO2 — CID 54797438

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
SMILESCCCCCCCNCc1ccc(OCCOC)cc1
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-12-18-15-16-8-10-17(11-9-16)20-14-13-19-2/h8-11,18H,3-7,12-15H2,1-2H3
InChIKeyFLUNNGNHZWUTLN-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.77
Rot. Bonds12

About N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine

N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine (PubChem CID 54797438) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
PubChem CID54797438
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
SMILESCCCCCCCNCc1ccc(OCCOC)cc1
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-12-18-15-16-8-10-17(11-9-16)20-14-13-19-2/h8-11,18H,3-7,12-15H2,1-2H3
InChIKeyFLUNNGNHZWUTLN-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride
CID 17213255
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585
5-[(4-butoxyphenyl)methylamino]pentanamide
CID 106233532
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
N-[(4-butoxyphenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639330
N-[(4-butoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843608
N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291144
N-[(4-butoxyphenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491421
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]heptan-1-amine;hydrochloride
CID 17054378

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine (CID 54797438) is N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine is CCCCCCCNCc1ccc(OCCOC)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine?
The InChIKey is FLUNNGNHZWUTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-4-5-6-7-12-18-15-16-8-10-17(11-9-16)20-14-13-19-2/h8-11,18H,3-7,12-15H2,1-2H3.
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine?
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.77, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine is sourced from PubChem (CID 54797438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).