N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine

C15H21NO — CID 130855690

IUPACN-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine
SMILESC#CCCCN(C)CCOCc1ccccc1
InChIInChI=1S/C15H21NO/c1-3-4-8-11-16(2)12-13-17-14-15-9-6-5-7-10-15/h1,5-7,9-10H,4,8,11-14H2,2H3
InChIKeyITOWTZIGZYPFCM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.55
Rot. Bonds8

About N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine

N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine (PubChem CID 130855690) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine
PubChem CID130855690
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine
SMILESC#CCCCN(C)CCOCc1ccccc1
InChIInChI=1S/C15H21NO/c1-3-4-8-11-16(2)12-13-17-14-15-9-6-5-7-10-15/h1,5-7,9-10H,4,8,11-14H2,2H3
InChIKeyITOWTZIGZYPFCM-UHFFFAOYSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tridec-12-ynoxymethylbenzene
CID 87241604
but-3-ynoxymethylbenzene
CID 11008213
undec-10-ynoxymethoxymethylbenzene
CID 156529711
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
6-iodohex-5-ynoxymethylbenzene
CID 132537074
1-phenylmethoxyhept-6-yn-3-ylhydrazine
CID 130923307
N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine
CID 14909645
2,3-bis(hexadec-15-ynoxy)propoxymethylbenzene
CID 85364376
N-[(2-chlorophenyl)methyl]-N-methylpent-4-yn-1-amine
CID 115872604
1-(but-3-ynoxymethyl)-4-methylbenzene
CID 15544024
oct-4-ynoxymethylbenzene
CID 11063850
butoxymethylbenzene;ethane
CID 145341806

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine?
The IUPAC name of N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine (CID 130855690) is N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine.
What is the SMILES notation for N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine?
The canonical SMILES for N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine is C#CCCCN(C)CCOCc1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine?
The InChIKey is ITOWTZIGZYPFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-4-8-11-16(2)12-13-17-14-15-9-6-5-7-10-15/h1,5-7,9-10H,4,8,11-14H2,2H3.
What are the key properties of N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine?
N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine is sourced from PubChem (CID 130855690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).