N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine

C17H26N2 — CID 105348088

IUPACN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine
SMILESC#CCN(CCC)Cc1ccc(CCNCC)cc1
InChIInChI=1S/C17H26N2/c1-4-13-19(14-5-2)15-17-9-7-16(8-10-17)11-12-18-6-3/h1,7-10,18H,5-6,11-15H2,2-3H3
InChIKeyZSRAKFLYHVUBDL-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.68
Rot. Bonds9

About N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine (PubChem CID 105348088) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine
PubChem CID105348088
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine
SMILESC#CCN(CCC)Cc1ccc(CCNCC)cc1
InChIInChI=1S/C17H26N2/c1-4-13-19(14-5-2)15-17-9-7-16(8-10-17)11-12-18-6-3/h1,7-10,18H,5-6,11-15H2,2-3H3
InChIKeyZSRAKFLYHVUBDL-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
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

N-[(4-bromophenyl)methyl]-N-prop-2-ynylpropan-1-amine
CID 155545695
N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 87520664
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 105347185
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine
CID 107455464
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 105346416
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine
CID 105346685
N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine
CID 170552008
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
CID 115463481
N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347484
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine
CID 105348193
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346884

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine?
The IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine (CID 105348088) is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine is C#CCN(CCC)Cc1ccc(CCNCC)cc1.
What is the InChIKey of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine?
The InChIKey is ZSRAKFLYHVUBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-13-19(14-5-2)15-17-9-7-16(8-10-17)11-12-18-6-3/h1,7-10,18H,5-6,11-15H2,2-3H3.
What are the key properties of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine?
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 105348088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).