N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine

C15H25NO3 — CID 54935357

IUPACN-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
SMILESCOCCCOc1ccc(CNC(C)C)cc1OC
InChIInChI=1S/C15H25NO3/c1-12(2)16-11-13-6-7-14(15(10-13)18-4)19-9-5-8-17-3/h6-7,10,12,16H,5,8-9,11H2,1-4H3
InChIKeyDNRJCGYUQQPLGY-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.61
Rot. Bonds9

About N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine

N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine (PubChem CID 54935357) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
PubChem CID54935357
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
SMILESCOCCCOc1ccc(CNC(C)C)cc1OC
InChIInChI=1S/C15H25NO3/c1-12(2)16-11-13-6-7-14(15(10-13)18-4)19-9-5-8-17-3/h6-7,10,12,16H,5,8-9,11H2,1-4H3
InChIKeyDNRJCGYUQQPLGY-UHFFFAOYSA-N
XLogP2.61
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
CID 39356684
N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine
CID 107006062
N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807428
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 60882435
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156148
N-[[3-ethoxy-4-(3-ethoxypropoxy)phenyl]methyl]propan-2-amine
CID 65176014
N-[[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methyl]propan-2-amine
CID 61481181
N-[[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]propan-2-amine
CID 103409034
3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849672
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43275392
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[[3-ethoxy-4-(3-fluoropropoxy)phenyl]methyl]propan-2-amine
CID 81107013

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine (CID 54935357) is N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine is COCCCOc1ccc(CNC(C)C)cc1OC.
What is the InChIKey of N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine?
The InChIKey is DNRJCGYUQQPLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(2)16-11-13-6-7-14(15(10-13)18-4)19-9-5-8-17-3/h6-7,10,12,16H,5,8-9,11H2,1-4H3.
What are the key properties of N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine?
N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 54935357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).